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  • 1. Aartsen, M. G.
    et al.
    Ackermann, M.
    Adams, J.
    Aguilar, J. A.
    Ahlers, M.
    Ahrens, M.
    Altmann, D.
    Anderson, T.
    Arguelles, C.
    Arlen, T. C.
    Auffenberg, J.
    Bai, X.
    Barwick, S. W.
    Baum, V.
    Beatty, J. J.
    Tjus, J. Becker
    Becker, K. -H
    BenZvi, S.
    Berghaus, P.
    Berley, D.
    Bernardini, E.
    Bernhard, A.
    Besson, D. Z.
    Binder, G.
    Bindig, D.
    Bissok, M.
    Blaufuss, E.
    Blumenthal, J.
    Boersma, David J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Bohm, C.
    Bos, F.
    Bose, D.
    Boeser, S.
    Botner, Olga
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Brayeur, L.
    Bretz, H. P.
    Brown, A. M.
    Casey, J.
    Casier, M.
    Cheung, E.
    Chirkin, D.
    Christov, A.
    Christy, B.
    Clark, K.
    Classen, L.
    Clevermann, F.
    Coenders, S.
    Cowen, D. F.
    Silva, A. H. Cruz
    Danninger, M.
    Daughhetee, J.
    Davis, J. C.
    Day, M.
    De Andre, J. P. A. M.
    DeClercq, C.
    De Ridder, S.
    Desiati, P.
    De Vries, K. D.
    Dewith, M.
    DeYoung, T.
    Diaz-Velez, J. C.
    Dunkman, M.
    Eagan, R.
    Eberhardt, B.
    Eichmann, B.
    Eisch, J.
    Euler, Sebastian
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Evenson, P. A.
    Fadiran, O.
    Fazely, A. R.
    Fedynitch, A.
    Feintzeig, J.
    Felde, J.
    Feusels, T.
    Filimonov, K.
    Finley, C.
    Fischer-Wasels, T.
    Flis, S.
    Franckowiak, A.
    Frantzen, K.
    Fuchs, T.
    Gaisser, T. K.
    Gaior, R.
    Gallagher, J.
    Gerhardt, L.
    Gier, D.
    Gladstone, L.
    Glusenkamp, T.
    Goldschmidt, A.
    Golup, G.
    Gonzalez, J. G.
    Goodman, J. A.
    Gora, D.
    Grant, D.
    Gretskov, P.
    Groh, J. C.
    Gro, A.
    Ha, C.
    Haack, C.
    Ismail, A. Haj
    Hallen, P.
    Hallgren, Allan
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Halzen, F.
    Hanson, K.
    Hebecker, D.
    Heereman, D.
    Heinen, D.
    Helbing, K.
    Hellauer, R.
    Hellwig, D.
    Hickford, S.
    Hill, G. C.
    Hoffman, K. D.
    Hoffmann, R.
    Homeier, A.
    Hoshina, K.
    Huang, F.
    Huelsnitz, W.
    Hulth, P. O.
    Hultqvist, K.
    Hussain, S.
    Ishihara, A.
    Jacobi, E.
    Jacobsen, J.
    Jagielski, K.
    Japaridze, G. S.
    Jero, K.
    Jlelati, O.
    Jurkovic, M.
    Kaminsky, B.
    Kappes, A.
    Karg, T.
    Karle, A.
    Kauer, M.
    Keivani, A.
    Kelley, J. L.
    Kheirandish, A.
    Kiryluk, J.
    Klaes, J.
    Klein, S. R.
    Koehne, J. H.
    Kohnen, G.
    Kolanoski, H.
    Koob, A.
    Koepke, L.
    Kopper, C.
    Kopper, S.
    Koskinen, D. J.
    Kowalski, M.
    Kriesten, A.
    Krings, K.
    Kroll, G.
    Kroll, M.
    Kunnen, J.
    Kurahashi, N.
    Kuwabara, T.
    Labare, M.
    Larsen, D. T.
    Larson, M. J.
    Lesiak-Bzdak, M.
    Leuermann, M.
    Leute, J.
    Luenemann, J.
    Madsen, J.
    Maggi, G.
    Maruyama, R.
    Mase, K.
    Matis, H. S.
    Maunu, R.
    McNally, F.
    Meagher, K.
    Medici, M.
    Meli, A.
    Meures, T.
    Miarecki, S.
    Middell, E.
    Middlemas, E.
    Milke, N.
    Miller, J.
    Mohrmann, L.
    Montaruli, T.
    Morse, R.
    Nahnhauer, R.
    Naumann, U.
    Niederhausen, H.
    Nowicki, S. C.
    Nygren, D. R.
    Obertacke, A.
    Odrowski, S.
    Olivas, A.
    Omairat, A.
    O'Murchadha, A.
    Palczewski, T.
    Paul, L.
    Penek, Oe.
    Pepper, J. A.
    Perez De Los Heros, Carlos
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Pfendner, C.
    Pieloth, D.
    Pinat, E.
    Posselt, J.
    Price, P. B.
    Przybylski, G. T.
    Puetz, J.
    Quinnan, M.
    Raedel, L.
    Rameez, M.
    Rawlins, K.
    Redl, P.
    Rees, I.
    Reimann, R.
    Relich, M.
    Resconi, E.
    Rhode, W.
    Richman, M.
    Riedel, B.
    Robertson, S.
    Rodrigues, J. P.
    Rongen, M.
    Rott, C.
    Ruhe, T.
    Ruzybayev, B.
    Ryckbosch, D.
    Saba, S. M.
    Sander, H. -G
    Sandroos, J.
    Santander, M.
    Sarkar, S.
    Schatto, K.
    Scheriau, F.
    Schmidt, T.
    Schmitz, M.
    Schoenen, S.
    Schoeneberg, S.
    Schoenwald, A.
    Schukraft, A.
    Schulte, L.
    Schulz, O.
    Seckel, D.
    Sestayo, Y.
    Seunarine, S.
    Shanidze, R.
    Smith, M. W. E.
    Soldin, D.
    Spiczak, G. M.
    Spiering, C.
    Stamatikos, M.
    Stanev, T.
    Stanisha, N. A.
    Stasik, A.
    Stezelberger, T.
    Stokstad, R. G.
    Stoessl, A.
    Strahler, E. A.
    Ström, Rickard
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Strotjohann, N. L.
    Sullivan, G. W.
    Taavola, Henric
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Högenergifysik.
    Taboada, I.
    Tamburro, A.
    Tepe, A.
    Ter-Antonyan, S.
    Terliuk, A.
    Tesic, G.
    Tilav, S.
    Toale, P. A.
    Tobin, M. N.
    Tosi, D.
    Tselengidou, M.
    Unger, Eva
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Usner, M.
    Vallecorsa, S.
    Van Eijndhoven, N.
    Vandenbroucke, J.
    Van Santen, J.
    Vehring, M.
    Voge, M.
    Vraeghe, M.
    Walck, C.
    Wallraff, M.
    Weaver, Ch.
    Wellons, M.
    Wendt, C.
    Westerhoff, S.
    Whelan, B. J.
    Whitehorn, N.
    Wichary, C.
    Wiebe, K.
    Wiebusch, C. H.
    Williams, D. R.
    Wissing, H.
    Wolf, M.
    Wood, T. R.
    Woschnagg, K.
    Xu, D. L.
    Xu, X. W.
    Yanez, J. P.
    Yodh, G.
    Yoshida, S.
    Zarzhitsky, P.
    Ziemann, J.
    Zierke, S.
    Zoll, M.
    Morik, K.
    Development of a general analysis and unfolding scheme and its application to measure the energy spectrum of atmospheric neutrinos with IceCube2015Inngår i: European Physical Journal C, ISSN 1434-6044, E-ISSN 1434-6052, Vol. 75, nr 3, artikkel-id 116Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We present the development and application of a generic analysis scheme for the measurement of neutrino spectra with the IceCube detector. This scheme is based on regularized unfolding, preceded by an event selection which uses a Minimum Redundancy Maximum Relevance algorithm to select the relevant variables and a random forest for the classification of events. The analysis has been developed using IceCube data from the 59-string configuration of the detector. 27,771 neutrino candidates were detected in 346 days of livetime. A rejection of 99.9999 % of the atmospheric muon background is achieved. The energy spectrum of the atmospheric neutrino flux is obtained using the TRUEE unfolding program. The unfolded spectrum of atmospheric muon neutrinos covers an energy range from 100 GeV to 1 PeV. Compared to the previous measurement using the detector in the 40-string configuration, the analysis presented here, extends the upper end of the atmospheric neutrino spectrum by more than a factor of two, reaching an energy region that has not been previously accessed by spectral measurements.

  • 2.
    Abdelhamid, Hani Nasser
    et al.
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden;Assiut Univ, Dept Chem, Adv Multifunct Mat Lab, Assiut 71515, Egypt.
    El-Zohry, Ahmed M.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Cong, Jiayan
    KTH Royal Inst Technol, Dept Chem, Appl Phys Chem, Tekn Ringen 30, S-10044 Stockholm, Sweden.
    Thersleff, Thomas
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden.
    Karlsson, Martin
    KTH Royal Inst Technol, Dept Chem, Appl Phys Chem, Tekn Ringen 30, S-10044 Stockholm, Sweden.
    Kloo, Lars
    KTH Royal Inst Technol, Dept Chem, Appl Phys Chem, Tekn Ringen 30, S-10044 Stockholm, Sweden.
    Zou, Xiaodong
    Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden.
    Towards implementing hierarchical porous zeolitic imidazolate frameworks in dye-sensitized solar cells2019Inngår i: Royal Society Open Science, E-ISSN 2054-5703, Vol. 6, nr 7, artikkel-id 190723Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A one-pot method for encapsulation of dye, which can be applied for dye-sensitized solar cells (DSSCs), and synthesis of hierarchical porous zeolitic imidazolate frameworks (ZIF-8), is reported. The size of the encapsulated dye tunes the mesoporosity and surface area of ZIF-8. The mesopore size, Langmuir surface area and pore volume are 15 nm, 960-1500 m(2). g(-1) and 0.36-0.61 cm(3). g(-1), respectively. After encapsulation into ZIF-8, the dyes show longer emission lifetimes (greater than 4-8-fold) as compared to the corresponding non-encapsulated dyes, due to suppression of aggregation, and torsional motions.

  • 3.
    Abdelhamid, Hani Nasser
    et al.
    Stockholm Univ, Inorgan & Struct Chem, SE-10691 Stockholm, Sweden;Stockholm Univ, Berzelii Ctr EXSELENT Porous Mat, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    Huang, Zhehao
    Stockholm Univ, Inorgan & Struct Chem, SE-10691 Stockholm, Sweden;Stockholm Univ, Berzelii Ctr EXSELENT Porous Mat, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    El-Zohry, Ahmed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Zheng, Haoquan
    Stockholm Univ, Inorgan & Struct Chem, SE-10691 Stockholm, Sweden;Stockholm Univ, Berzelii Ctr EXSELENT Porous Mat, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    Zou, Xiaodong
    Stockholm Univ, Inorgan & Struct Chem, SE-10691 Stockholm, Sweden;Stockholm Univ, Berzelii Ctr EXSELENT Porous Mat, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    A Fast and Scalable Approach for Synthesis of Hierarchical Porous Zeolitic Imidazolate Frameworks and One-Pot Encapsulation of Target Molecules2017Inngår i: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 56, nr 15, s. 9139-9146Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A trimethylamine (TEA)-assisted synthesis approach that combines the preparation of hierarchical porous zeolitic, imidazolate framework ZIF-8, nanoparticles and one-pot encapsulation of target molecules is presented. Two dye molecules, rhodamine B (RhB) and methylene blue (MB), and one protein (bovine serum albumin, BSA) were, tested as the target molecules. The addition of TEA into the solution of zinc nitrate promoted the formation of ZnO nanocrystals, which rapidly transformed to ZIF-8 nanoparticles after the addition of the linker 2-methylimidazole (Hmim): Hierarchical porous dye@ZIF-8 nanoparticles with high crystallinity, large BET surface areas (1300-2500 m(2)/g), and large pore Volatiles (0.5-1.0 cm(3)/g) could be synthesized. The synthesis procedure was fast (down to 2 min) and scalable. The Hmim/Zn ratio could be greatly reduced (down to 2:1) compared to previously reported ones. The surface areas, and the mesopore size, structure, and density could be modified by changing the TEA or dye concentrations, or by postsynthetic treatment using reflux in methanol. This synthesis and one-pot encapsulation approach is simple and can be readily scaled Up. The photophysical properties such as lifetime and photostability of the dyes could be tuned via encapsulation. The lifetimes of the encapsulated dyes were increased by 3-27-fold for RhB@ZIF-8 and by 20-fold for MB@ZIF-8, compared to those of the corresponding free dyes. The synthesis approach is general, which was successfully applied for encapsulation of protein BSA. It could also be extended for the synthesis of hierarchical porous cobalt-based ZIP (dye@ZIF-67).

  • 4.
    Abdelhamid, Hani Nasser
    et al.
    Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat, SE-10691 Stockholm, Sweden;Assiut Univ, Dept Chem, Assiut 71515, Egypt.
    Wilk-Kozubek, Magdalena
    Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat, SE-10691 Stockholm, Sweden;PORT Polish Ctr Technol Dev, Dept Nanotechnol, 147 Stablowicka St, PL-54066 Wroclaw, Poland.
    El-Zohry, Ahmed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Gomez, Antonio Bermejo
    Stockholm Univ, Dept Organ Chem, SE-10691 Stockholm, Sweden.
    Valiente, Alejandro
    Stockholm Univ, Dept Organ Chem, SE-10691 Stockholm, Sweden.
    Martin-Matute, Belen
    Stockholm Univ, Dept Organ Chem, SE-10691 Stockholm, Sweden.
    Mudring, Anja-Verena
    Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat, SE-10691 Stockholm, Sweden.
    Zou, Xiaodong
    Stockholm Univ, Dept Mat & Environm Chem, Berzelii Ctr EXSELENT Porous Mat, SE-10691 Stockholm, Sweden.
    Luminescence properties of a family of lanthanide metal-organic frameworks2019Inngår i: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 279, s. 400-406Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Two isostructural series of lanthanide metal-organic frameworks denoted as SUMOF-7II (Ln) and SUMOF-7IIB (Ln) (Ln = La, Ce, Pr, Nd, Sm, Eu, and Gd) were synthesized using4,4',4 ''-(pyridine-2,4,6-triyl)tris(benzoic acid) (H(3)L2) and a mixture of H(3)L2 and 4,4',4 ''-(benzene-1,3,5-triyl)tris(benzoic acid) (H3BTB) as linkers, respectively. Both series were characterized using powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), thermal analysis (TGA), and photoluminescence spectroscopy. Photoluminescence measurements show that Eu-MOFs demonstrate a red emission while Pr- and Nd-MOFs display an emission in the near-infrared (NIR) range. On the other hand, La-, Ce-, Sm- and Gd-MOFs exhibit only a ligand-centered emission. The average luminescence lifetimes in the SUMOF-7IIB series are 1.3-1.4-fold longer than the corresponding ones in the SUMOF-7II series. SUMOF-7IIs show a good photo- and thermal stability. Altogether, the properties of SUMOF-7II and SUMOF-7IIB render them promising materials for applications including sensing, biosensing, and telecommunications.

  • 5.
    Abdellah, Mohamed
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt..
    El-Zohry, Ahmed M.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Antila, Liisa J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Windle, Christopher D.
    Univ Cambridge, Dept Chem, Christian Doppler Lab Sustainable SynGas Chem, Lensfield Rd, Cambridge CB2 1EW, England..
    Reisner, Erwin
    Univ Cambridge, Dept Chem, Christian Doppler Lab Sustainable SynGas Chem, Lensfield Rd, Cambridge CB2 1EW, England..
    Hammarström, Leif
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Time-Resolved IR Spectroscopy Reveals a. Mechanism with TiO2 as a Reversible Electron Acceptor in a TiO2-Re Catalyst System for CO2 Photoreduction2017Inngår i: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 139, nr 3, s. 1226-1232Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Attaching the phosphonated molecular catalyst [(ReBr)-Br-I(bpy)-(CO)(3)](0) to the wide-bandgap semiconductor TiO2 strongly enhances the rate of visible-light-driven reduction of CO2 to CO in dimethylformamide with triethanolamine (TEOA) as sacrificial electron donor. Herein, we show by transient mid-IR spectroscopy that the mechanism of catalyst photoreduction is initiated by ultrafast electron injection into TiO2, followed by rapid (ps-ns) and sequential two-electron oxidation of TEOA that is coordinated to the Re center. The injected electrons can be stored in the conduction band of TiO2 on an ms-s time scale, and we propose that they lead to further reduction of the Re catalyst and completion of the catalytic cycle. Thus, the excited Re catalyst gives away one electron and would eventually get three electrons back. The function of an electron reservoir would represent a role for TiO2 in photocatalytic CO2 reduction that has previously not been considered. We propose that the increase in photocatalytic activity upon heterogenization of the catalyst to TiO2 is due to the slow charge recombination and the high oxidative power of the Re-II species after electron injection as compared to the excited MLCT state of the unbound Re catalyst or when immobilized on ZrO2, which results in a more efficient reaction with TEOA.

  • 6.
    Abdellah, Mohamed
    et al.
    Lund Univ, Div Chem Phys, Box 124, S-22100 Lund, Sweden.;Lund Univ, NanoLund, Box 124, S-22100 Lund, Sweden.;South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt..
    Poulsen, Felipe
    Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark..
    Zhu, Qiushi
    Lund Univ, Div Chem Phys, Box 124, S-22100 Lund, Sweden.;Lund Univ, NanoLund, Box 124, S-22100 Lund, Sweden..
    Zhu, Nan
    Tech Univ Denmark, Dept Chem, Kemitorvet Bldg 207, DK-2800 Lyngby, Denmark.;Dalian Univ Technol, Zhang Dayu Sch Chem, Dalian 116024, Peoples R China..
    Zidek, Karel
    Acad Sci Czech Republ, Inst Plasma Phys, Reg Ctr Special Opt & Optoelect Syst TOPTEC, Za Slovankou 1782-3, Prague 18200 8, Czech Republic..
    Chabera, Pavel
    Lund Univ, Div Chem Phys, Box 124, S-22100 Lund, Sweden.;Lund Univ, NanoLund, Box 124, S-22100 Lund, Sweden..
    Corti, Annamaria
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hansen, Thorsten
    Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark..
    Chi, Qijin
    Tech Univ Denmark, Dept Chem, Kemitorvet Bldg 207, DK-2800 Lyngby, Denmark..
    Canton, Sophie E.
    DESY, Attosecond Sci Grp, Notkestr 85, D-22607 Hamburg, Germany.;ELI HU Nonprofit Ltd, ELI ALPS, Dugonics Ter 13, H-6720 Szeged, Hungary..
    Zheng, Kaibo
    Lund Univ, Div Chem Phys, Box 124, S-22100 Lund, Sweden.;Lund Univ, NanoLund, Box 124, S-22100 Lund, Sweden.;Qatar Univ, Coll Engn, Gas Proc Ctr, POB 2713, Doha, Qatar..
    Pullerits, Tonu
    Lund Univ, Div Chem Phys, Box 124, S-22100 Lund, Sweden.;Lund Univ, NanoLund, Box 124, S-22100 Lund, Sweden..
    Drastic difference between hole and electron injection through the gradient shell of CdxSeyZn1−xS1−y quantum dots2017Inngår i: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, Vol. 9, nr 34, s. 12503-12508Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ultrafast fluorescence spectroscopy was used to investigate the hole injection in CdxSeyZn1-xS1-y gradient core-shell quantum dot (CSQD) sensitized p-type NiO photocathodes. A series of CSQDs with a wide range of shell thicknesses was studied. Complementary photoelectrochemical cell measurements were carried out to confirm that the hole injection from the active core through the gradient shell to NiO takes place. The hole injection from the valence band of the QDs to NiO depends much less on the shell thickness when compared to the corresponding electron injection to n-type semiconductor (ZnO). We simulate the charge carrier tunneling through the potential barrier due to the gradient shell by numerically solving the Schrodinger equation. The details of the band alignment determining the potential barrier are obtained from X-ray spectroscopy measurements. The observed drastic differences between the hole and electron injection are consistent with a model where the hole effective mass decreases, while the gradient shell thickness increases.

  • 7.
    Abdellah, Mohamed
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Zhang, Shihuai
    Dalian Univ Technol, DUT KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Wang, Mei
    Dalian Univ Technol, DUT KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Hammarström, Leif
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Competitive Hole Transfer from CdSe Quantum Dots to Thiol Ligands in CdSe-Cobaloxime Sensitized NiO Films Used as Photocathodes for H-2 Evolution2017Inngår i: ACS Energy Letters, ISSN 2380-8195, Vol. 2, nr 11, s. 2576-2580Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Quantum dot (QD) sensitized NiO photocathodes rely on efficient photoinduced hole injection into the NiO valence band. A system of a mesoporous NiO film co-sensitized with CdSe QDs and a molecular proton reduction catalyst was studied. While successful electron transfer from the excited QDs to the catalyst is observed, most of the photogenerated holes are instead quenched very rapidly (ps) by hole trapping at the surface thiols of the capping agent used as linker molecules. We confirmed our conclusion by first using a thiol free capping agent and second varying the thiol concentration on the QD's surface. The later resulted in faster hole trapping as the thiol concentration increased. We suggest that this hole trapping by the linker limits the H-2 yield for this photocathode in a device.

  • 8.
    Abdi-Jalebi, Mojtaba
    et al.
    Univ Cambridge, Dept Phys, Cavendish Lab, JJ Thomson Ave, Cambridge, England.
    Pazoki, Meysam
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Philippe, Bertrand
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Dar, M. Ibrahim
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, Lausanne, Switzerland.
    Alsari, Mejd
    Univ Cambridge, Dept Phys, Cavendish Lab, JJ Thomson Ave, Cambridge, England.
    Sadhanala, Aditya
    Univ Cambridge, Dept Phys, Cavendish Lab, JJ Thomson Ave, Cambridge, England.
    Diyitini, Giorgio
    Univ Cambridge, Dept Mat Sci & Met, Charles Babbage Rd, Cambridge, England.
    Imani, Roghayeh
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Lilliu, Samuele
    Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England; UAE Ctr Crystallog, Dubai, U Arab Emirates.
    Kullgren, Jolla
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Rensmo, Håkan
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Gratzel, Michael
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, Lausanne, Switzerland.
    Friend, Richard H.
    Univ Cambridge, Dept Phys, Cavendish Lab, JJ Thomson Ave, Cambridge, England.
    Dedoping of Lead Halide Perovskites Incorporating Monovalent Cations2018Inngår i: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 12, nr 7, s. 7301-7311Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We report significant improvements in the optoelectronic properties of lead halide perovskites with the addition of monovalent ions with ionic radii close to Pb2+. We investigate the chemical distribution and electronic structure of solution processed CH3NH3PbI3 perovskite structures containing Na+, Cu+, and Ag+, which are lower valence metal ions than Pb2+ but have similar ionic radii. Synchrotron X-ray diffraction reveals a pronounced shift in the main perovskite peaks for the monovalent cation-based films, suggesting incorporation of these cations into the perovskite lattice as well as a preferential crystal growth in Ag+ containing perovskite structures. Furthermore, the synchrotron X-ray photoelectron measurements show a significant change in the valence band position for Cu- and Ag-doped films, although the perovskite bandgap remains the same, indicating a shift in the Fermi level position toward the middle of the bandgap. Such a shift infers that incorporation of these monovalent cations dedope the n-type perovskite films when formed without added cations. This dedoping effect leads to cleaner bandgaps as reflected by the lower energetic disorder in the monovalent cation-doped perovskite thin films as compared to pristine films. We also find that in contrast to Ag+ and Cu+, Na+ locates mainly at the grain boundaries and surfaces. Our theoretical calculations confirm the observed shifts in X-ray diffraction peaks and Fermi level as well as absence of intrabandgap states upon energetically favorable doping of perovskite lattice by the monovalent cations. We also model a significant change in the local structure, chemical bonding of metal-halide, and the electronic structure in the doped perovskites. In summary, our work highlights the local chemistry and influence of monovalent cation dopants on crystallization and the electronic structure in the doped perovskite thin films.

  • 9.
    Abrahamsson, Maria
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Becker, Hans-Christian
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Hammarström, Leif
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Microsecond (MLCT)-M-3 excited state lifetimes in bis-tridentate Ru(II)-complexes: significant reductions of non-radiative rate constants2017Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 46, nr 39, s. 13314-13321Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    In this paper we report the photophysical properties of a series of bis-tridentate Ru-II-complexes, based on the dqp-ligand (dqp = 2,6-di(quinolin-8-yl) pyridine), which display several microsecond long excited state lifetimes for triplet metal-to-ligand charge transfer ((MLCT)-M-3) at room temperature. Temperature dependence of the excited state lifetimes for [Ru(dqp)(2)](2+) and [Ru(dqp)(ttpy)](2+) (ttpy = 4'-tolyl-2,2': 6', 2 ''-terpyridine) is reported and radiative and non-radiative rate constants for the whole series are reported and discussed. We can confirm previous assumptions that the near-octahedricity of the bis-dqp complexes dramatically slows down activated decay at room temperature, as compared to most other and less long-lived bis-tridentate RuII-complexes, such as [Ru(tpy)(2)](2+) with tau = 0.25 ns at room temperature (tpy = 2,2': 6', 2 ''-terpyridine). Moreover, the direct non-radiative decay to the ground state is comparatively slow for similar to 700 nm room-temperature emission when considering the energy-gap law. Analysis of the 77 K emission spectra suggests that this effect is not primarily due to smaller excited state distortion than that for comparable complexes. Instead, an analysis of the photophysical parameters suggests a weaker singlet-triplet mixing in the MLCT state, which slows down both radiative and non-radiative decay.

  • 10.
    Abrashev, Miroslav V.
    et al.
    Univ Sofia St Kliment Ohridski, Fac Phys, Sofia 1164, Bulgaria.
    Chernev, Petko
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik. Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Kubella, Paul
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Mohammadi, Mohammad Reza
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany;Univ Sistan & Baluchestan, Dept Phys, Zahedan 9816745845, Iran.
    Pasquini, Chiara
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Dau, Holger
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Zaharieva, Ivelina
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Origin of the heat-induced improvement of catalytic activity and stability of MnOx electrocatalysts for water oxidation2019Inngår i: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 7, nr 28, s. 17022-17036Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Catalysis of the oxygen evolution reaction (OER) by earth-abundant materials in the near-neutral pH regime is of great interest as it is the key reaction for non-fossil fuel production. To address the pertinent stability problems and insufficiently understood structure-activity relations, we investigate the influence of moderate annealing (100-300 degrees C for 20 min) for two types of electrodeposited Mn oxide films with contrasting properties. Upon annealing, the originally inactive and structurally well-ordered Oxide 1 of birnessite type became as OER active as the non-heated Oxide 2, which has a highly disordered atomic structure. Oxide 2 also improved its activity upon heating, but more important is the stability improvement: the operation time increased by about two orders of magnitude (in 0.1 M KPi at pH 7). Aiming at atomistic understanding, electrochemical methods including quantitative analysis of impedance spectra, X-ray spectroscopy (XANES and EXAFS), and adapted optical spectroscopies (infrared, UV-vis and Raman) identified structure-reactivity relations. Oxide structures featuring both di-mu-oxo bridged Mn ions and (close to) linear mono-mu-oxo Mn3+-O-Mn4+ connectivity seem to be a prerequisite for OER activity. The latter motif likely stabilizes Mn3+ ions at higher potentials and promotes electron/hole hopping, a feature related to electrical conductivity and reflected in the strongly accelerated rates of Mn oxidation and O-2 formation. Poor charge mobility, which may result from a low level of Mn3+ ions at high potentials, likely promotes inactivation after prolonged operation. Oxide structures related to the perovskite-like zeta-Mn2O3 were formed after the heating of Oxide 2 and could favour stabilization of Mn ions in oxidation states lower than +4. This rare phase was previously found only at high pressure (20 GPa) and temperature (1200 degrees C) and this is the first report where it was stable under ambient conditions.

  • 11. Achari, Muthuraaman Bhagavathi
    et al.
    Elumalai, Viswanathan
    Vlachopoulos, Nikolaos
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Safdari, Majid
    Gao, Jiajia
    Gardner, James M.
    Kloo, Lars
    A quasi-liquid polymer-based cobalt redox mediator electrolyte for dye-sensitized solar cells2013Inngår i: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 15, nr 40, s. 17419-17425Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Recently, cobalt redox electrolyte mediators have emerged as a promising alternative to the commonly used iodide/triiodide redox shuttle in dye-sensitized solar cells (DSCs). Here, we report the successful use of a new quasi-liquid, polymer-based electrolyte containing the Co3+/Co2+ redox mediator in 3-methoxy propionitrile solvent in order to overcome the limitations of high cell resistance, low diffusion coefficient and rapid recombination losses. The performance of the solar cells containing the polymer based electrolytes increased by a factor of 1.2 with respect to an analogous electrolyte without the polymer. The performances of the fabricated DSCs have been investigated in detail by photovoltaic, transient electron measurements, EIS, Raman and UV-vis spectroscopy. This approach offers an effective way to make high-performance and long-lasting DSCs.

  • 12. Acker, Pascal
    et al.
    Rzesny, Luisa
    Marchiori, Cleber
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi. Uppsala University.
    Araujo, Carlos Moyses
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Esser, Birgit
    π-Conjugation Enables Ultra-High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode-Active Battery Materials2019Inngår i: Advanced Functional Materials, ISSN 1616-301X, E-ISSN 1616-3028Artikkel i tidsskrift (Fagfellevurdert)
  • 13.
    Adamovic, Nadja
    et al.
    TU Wien, ISAS, Vienna, Austria..
    Asinari, Pietro
    Politecn Torino, Dept Energy, Turin, Italy..
    Goldbeck, Gerhard
    Goldbeck Consulting Ltd, St Johns Innovat Ctr, Cambridge, England..
    Hashibon, Adham
    Fraunhofer Inst Mech Mat IWM, Freiburg, Germany..
    Hermansson, Kersti
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Hristova-Bogaerds, Denka
    DPI, Eindhoven, Netherlands..
    Koopmans, Rudolf
    Koopmans Consulting GmbH, Zurich, Switzerland..
    Verbrugge, Tom
    Dow Benelux BV, Hoek, Netherlands..
    Wimmer, Erich
    Mat Design, Le Mans, France..
    European Materials Modelling Council2017Inngår i: Proceedings Of The 4Th World Congress On Integrated Computational Materials Engineering (Icme 2017) / [ed] Mason, P Fisher, CR Glamm, R Manuel, MV Schmitz, GJ Singh, AK Strachan, A, Springer Publishing Company, 2017, s. 79-92Konferansepaper (Fagfellevurdert)
    Abstract [en]

    The aim of the European Materials Modelling Council (EMMC) is to establish current and forward looking complementary activities necessary to bring the field of materials modelling closer to the demands of manufacturers (both small and large enterprises) in Europe. The ultimate goal is that materials modelling and simulation will become an integral part of product life cycle management in European industry, thereby making a strong contribution to enhance innovation and competitiveness on a global level. Based on intensive efforts in the past two years within the EMMC, which included numerous consultation and networking actions with representatives of all stakeholders including Modellers, Software Owners, Translators and Manufacturers in Europe, the EMMC identified and proposed a set of underpinning and enabling actions to increase the industrial exploitation of materials modelling in Europe. EMMC will pursue the following overarching objectives in order to bridge the gap between academic innovation and industrial application: enhance the interaction and collaboration between all stakeholders engaged in different types of materials modelling, including modellers, software owners, translators and manufacturers, facilitate integrated materials modelling in Europe building on strong and coherent foundations, coordinate and support actors and mechanisms that enable rapid transfer of materials modelling from academic innovation to the end users and potential beneficiaries in industry, achieve greater awareness and uptake of materials modelling in industry, in particular SMEs, elaborate Roadmaps that (i) identify major obstacles to widening the use of materials modelling and (ii) elaborate strategies to overcome them.

  • 14. Adamska-Venkatesh, Agnieszka
    et al.
    Mirmohades, Mohammad
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Sommer, Constanze
    Reijerse, Edward
    Lubitz, Wolfgang
    Lomoth, Reiner
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hammarström, Leif
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Following [FeFe] Hydrogenase Active Site Intermediates by Flash Photolysis/Mid-IR ProbingManuskript (preprint) (Annet vitenskapelig)
  • 15.
    Agervald, Åsa
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för fotokemi och molekylärvetenskap, Mikrobiell kemi.
    Camsund, Daniel
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Stensjö, Karin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Lindblad, Peter
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    CRISPR in the extended hyp-operon of the cyanobacterium Nostoc sp. strain PCC 7120, characteristics and putative function(s)2012Inngår i: International journal of hydrogen energy, ISSN 0360-3199, E-ISSN 1879-3487, Vol. 37, nr 10, s. 8828-8833Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The presence of small RNAs (sRNA) and their functions in transcriptional regulation has lately turned into a hot topic. Since cyanobacteria often face changes in the surrounding environment, they need to have a well working system for stress response. Quick adaption is necessary, and an RNA-based regulatory system is thus useful. One example of these sRNAs is CRISPRs. In this work we report the existence of a CRISPR within the hyp-operon (hyp genes encode proteins responsible for the maturation of hydrogenases) of the filamentous cyanobacterium Nostoc sp. strain PCC 7120. We present data concerning its characteristics and putative function(s) and raise the question concerning the importance of this CRISPR array and other CRISPR systems in general. In addition, we discuss the use of the CRISPR system as a potential bacterial genetic defence mechanism to achieve robust, cyanobacterial cultures in large scale, commercial production units.

  • 16.
    Aguirre Castillo, José
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.
    Optimisation of the bottom stirring praxis in a LD-LBE converter: Investigations and tests on phosphorous removal, nitrogen as stirring gas, and slopping2015Independent thesis Advanced level (professional degree), 20 poäng / 30 hpOppgave
    Abstract [en]

    The LD-process, called after the cities Linz and Donawitz, is used to convert pig iron into crude steel by blowing oxygen on top of the pig iron. A LD-LBE converter, Lance Bubbling Equilibrium, also stirs the melt trough a bottom stirring system.

    The bottom stirring in a LD-LBE converter is believed to have a positive effect alone on the phosphorous removal. Previous studies have shown that the temperature and slag composition are the main factors affecting phosphorus removal. Phosphorus binds to the slag easier at low temperature and to slag with certain levels of dissolved calcium (a process additive). Different praxes were tested and a better dephosphorisation was reached. The bottom stirrings effect on the dissolution of calcium additives is a possible explanation to the results and mechanisms presented in this study.

    The study also aimed to investigate the use of nitrogen as stirring gas instead of argon. Nitrogen is removed from the steel during the formation of carbon oxide gases. Nitrogen was used in varying amounts as stirring gas during the first half of the oxygen blow. It proved to be safe to use as long as there was a high content of carbon in the melt. However using nitrogen beyond half of the blow showed to be risky for nitrogen sensible steels; even in small amounts since there is not enough carbon left to degas the steel from nitrogen.

    Slopping happens when formed gas from the LD-process is trapped in the slag. The slag level rises and sometimes it floods the converter resulting in yield losses. The influence of the bottom stirring on slopping was studied, which resulted in the conclusion that slopping cannot be avoided by simply improving the bottom stirring.

    Although some verification studies remains to be done, if the suggestions based on the results of this thesis were employed, savings in the oxygen and stirring gas economies could be made. Not least improvements on the iron yield.

  • 17.
    Ahlberg, Patrik
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Johansson, Fredrik
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi.
    Zhang, Zhibin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Jansson, Ulf
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.
    Zhang, Shi-Li
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Lindblad, Andreas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi.
    Nyberg, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Defect formation in graphene during low-energy ion bombardment2016Inngår i: APL Materials, ISSN 2166-532X, Vol. 4, nr 4, artikkel-id 046104Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    This letter reports on a systematic investigation of sputter induced damage in graphene caused by low energy Ar+ ion bombardment. The integral numbers of ions per area (dose) as well as their energies are varied in the range of a few eV's up to 200 eV. The defects in the graphene are correlated to the dose/energy and different mechanisms for the defect formation are presented. The energetic bombardment associated with the conventional sputter deposition process is typically in the investigated energy range. However, during sputter deposition on graphene, the energetic particle bombardment potentially disrupts the crystallinity and consequently deteriorates its properties. One purpose with the present study is therefore to demonstrate the limits and possibilities with sputter deposition of thin films on graphene and to identify energy levels necessary to obtain defect free graphene during the sputter deposition process. Another purpose is to disclose the fundamental mechanisms responsible for defect formation in graphene for the studied energy range.

  • 18.
    Ahlberg, Patrik
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Nyberg, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Zhang, Shi-Li
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Zhang, Zhi-Bin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets elektronik.
    Jansson, Ulf
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.
    Toward synthesis of oxide films on graphene with sputtering based processes2016Inngår i: Journal of Vacuum Science & Technology B, ISSN 1071-1023, E-ISSN 1520-8567, Vol. 34, nr 4, artikkel-id 040605Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The impact of energetic particles associated with a sputter deposition process may introduce damage to single layer graphene films, making it challenging to apply this method when processing graphene. The challenge is even greater when oxygen is incorporated into the sputtering process as graphene can be readily oxidized. This work demonstrates a method of synthesizing ZnSn oxide on graphene without introducing an appreciable amount of defects into the underlying graphene. Moreover, the method is general and applicable to other oxides. The formation of ZnSn oxide is realized by sputter deposition of ZnSn followed by a postoxidation step. In order to prevent the underlying graphene from damage during the initial sputter deposition process, the substrate temperature is kept close to room temperature, and the processing pressure is kept high enough to effectively suppress energetic bombardment. Further, in the subsequent postannealing step, it is important not to exceed temperatures resulting in oxidation of the graphene. The authors conclude that postoxidation of ZnSn is satisfactorily performed at 300 degrees C in pure oxygen at reduced pressure. This process results in an oxidized ZnSn film while retaining the initial quality of the graphene film.

  • 19.
    Ahlstrand, Emma
    et al.
    Linnus Univ, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden.;Linnus Univ, Ctr Biomat Chem, S-39182 Kalmar, Sweden..
    Hermansson, Kersti
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Friedman, Ran
    Linnus Univ, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden.;Linnus Univ, Ctr Biomat Chem, S-39182 Kalmar, Sweden..
    Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based Calculations2017Inngår i: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 121, nr 13, s. 2643-2654Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Zinc plays important roles in structural stabilization of proteins, eniyine catalysis, and signal transduction. Many Zn binding sites are located at the interface between the protein and the cellular fluid. In aqueous solutions, Zn ions adopt an octahedral coordination, while in proteins zinc can have different coordinations, with a tetrahedral conformation found most frequently. The dynainics of Zn binding to proteins and the formation of complexes that involve Zn are dictated by interactions between Zn and its binding partners. We calculated the interaction energies between Zn and its ligands in complexes that mimic protein binding sites and in Zn complexes of water and one or two amino acid moieties, using quantum mechanics (QM) and molecular mechanics (MM). It was found that MM calculations that neglect or only approximate polarizability did not reproduce even the relative order of the QM interaction energies in these complexes. Interaction energies calculated with the CHARMM-Diode polarizable force field agreed better with the ab initio results,:although the deviations between QM and MM were still rather large (40-96 kcallmol). In order to gain further insight into Zn ligand interactions, the free energies of interaction were estimated by QM calculations with continuum solvent representation, and we performed energy decomposition analysis calculations to examine the characteristics of the different complexes. The ligand-types were found to have high impact on the relative strength of polarization and electrostatic interactions. Interestingly, ligand ligand interactions did not play a significant role in the binding of Zn. Finally) analysis of ligand exchange energies suggests that carboxylates could be exchanged with water molecules, which explains the flexibility in Zn:binding dynamics. An exchange between earboxylate (Asp/Glii) and imidazole (His) is less likely.

  • 20.
    Ahlstrand, Emma
    et al.
    Linnæus University Centre for Biomaterials Chemistry.
    Spångberg, Daniel
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Hermansson, Kersti
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi.
    Friedman, Ran
    Interaction Energies Between Metal Ions (Zn2+ and Cd2+) and Biologically Relevant Ligands2013Inngår i: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 113, nr 23, s. 2554-2562Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Interactions between the group XII metals Zn2+ and Cd2+ and amino acid residues play an important role in biology due to the prevalence of the first and the toxicity of the second. Estimates of the interaction energies between the ions and relevant residues in proteins are however difficult to obtain. This study reports on calculated interaction energy curves for small complexes of Zn2+ or Cd2+ and amino acid mimics (acetate, methanethiolate, and imidazole) or water. Given that many applications and models (e.g., force fields, solvation models, etc.) begin with and rely on an accurate description of gas-phase interaction energies, this is where our focus lies in this study. Four density functional theory (DFT)-functionals and MP2 were used to calculate the interaction energies not only at the respective equilibrium distances but also at a relevant range of ion–ligand separation distances. The calculated values were compared with those obtained by CCSD(T). All DFT-methods are found to overestimate the magnitude of the interaction energy compared to the CCSD(T) reference values. The deviation was analyzed in terms of energy components from localized molecular orbital energy decomposition analysis scheme and is mostly attributed to overestimation of the polarization energy. MP2 shows good agreement with CCSD(T) [root mean square error (RMSE) = 1.2 kcal/mol] for the eight studied complexes at equilibrium distance. Dispersion energy differences at longer separation give rise to increased deviations between MP2 and CCSD(T) (RMSE = 6.4 kcal/mol at 3.0 Å). Overall, the results call for caution in applying DFT methods to metalloprotein model complexes even with closed-shell metal ions such as Zn2+ and Cd2+, in particular at ion–ligand separations that are longer than the equilibrium distances.

  • 21.
    Ahmadova, Nigar
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Studies of the two redox active tyrosines in Photosystem II2017Doktoravhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    Photosystem II is a unique enzyme which catalyzes light induced water oxidation. This process is driven by highly oxidizing ensemble of four Chl molecules, PD1, PD2, ChlD1 and ChlD2 called, P680. Excitation of one of the Chls in P680 leads to the primary charge separation, P680+Pheo-. Pheo- transfers electrons sequentially to the primary quinone acceptor QA and the secondary quinone acceptor QB. P680+ in turn extracts electrons from Mn4CaO5 cluster, a site for the water oxidation. There are two redox active tyrosines, TyrZ and TyrD, found in PSII. They are symmetrically located on the D1 and D2 central proteins. Only TyrZ acts as intermediate electron carrier between P680 and Mn4CaO5 cluster, while TyrD does not participate in the linear electron flow and stays oxidized under light conditions. Both tyrosines are involved in PCET.

    The reduced TyrD undergoes biphasic oxidation with the fast (msec-sec time range) and the slow (tens of seconds time range) kinetic phases. We assign these phases to two populations of PSII centers with proximal or distal water positions. We also suggest that the TyrD oxidation and stability is regulated by the new small lumenal protein subunit, PsbTn. The possible involvement of PsbTn protein in the proton translocation mechanism from TyrD is suggested.

    To assess the possible localization of primary cation in P680 the formation of the triplet state of P680 and the oxidation of TyrZ and TyrD were followed under visible and far-red light. We proposed that far-red light induces the cation formation on ChlD1.

    Transmembrane interaction between QB and TyrZ has been studied. The different oxidation yield of TyrZ, measured as a S1 split EPR signal was correlated to the conformational change of protein induced by the QB presence at the QB-site. The change is transferred via H-bonds to the corresponding His-residues via helix D of the D1 protein.

    Delarbeid
    1. The protonation state around Tyr(D)/Tyr((D)) over dot in photosystem II is reflected in its biphasic oxidation kinetics
    Åpne denne publikasjonen i ny fane eller vindu >>The protonation state around Tyr(D)/Tyr((D)) over dot in photosystem II is reflected in its biphasic oxidation kinetics
    Vise andre…
    2017 (engelsk)Inngår i: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1858, nr 2, s. 147-155Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    The tyrosine residue D2-Tyr160 (Tyr(D)) in photosystem II (PSII) can be oxidized through charge equilibrium with the oxygen evolving complex in PSII. The kinetics of the electron transfer from Tyr(D) has been followed using time resolved EPR spectroscopy after triggering the oxidation of pre-reduced Tyr(D) by a short laser flash. After its oxidation Tyro is observed as a neutral radical (Tyr((D)) over dot) indicating that the oxidation is coupled to a deprotonation event. The redox state of Tyro was reported to be determined by the two water positions identified in the crystal structure of PSII [Saito et al. (2013) Proc. Natl. Acad. Sci. USA 110, 7690]. To assess the mechanism of the proton coupled electron transfer of Tyr(D) the oxidation kinetics has been followed in the presence of deuterated buffers, thereby resolving the kinetic isotope effect (KIE) of Tyro oxidation at different H/D concentrations. Two kinetic phases of Tyro oxidation - the fast phase (msec-sec time range) and the slow phase (tens of seconds time range) were resolved as was previously reported [Vass and Styring (1991) Biochemistry 30, 830]. In the presence of deuterated buffers the kinetics was significantly slower compared to normal buffers. Furthermore, although the kinetics were faster at both high pH and pD values the observed KIE was found to be similar (similar to 2.4) over the whole pL range investigated. We assign the fast and slow oxidation phases to two populations of PSII centers with different water positions, proximal and distal respectively, and discuss possible deprotonation events in the vicinity of Tyro.

    Emneord
    Photosystem II, Tyrosine D, Electron transfer, Proton transfer, Deuterium isotope effect
    HSV kategori
    Identifikatorer
    urn:nbn:se:uu:diva-316938 (URN)10.1016/j.bbabio.2016.11.002 (DOI)000392776400007 ()27823941 (PubMedID)
    Forskningsfinansiär
    Swedish Research Council, 621-2013-5937Swedish Energy Agency, 11674-5Knut and Alice Wallenberg Foundation, KAW 2011.0067
    Tilgjengelig fra: 2017-03-09 Laget: 2017-03-09 Sist oppdatert: 2017-04-30
    2. Tyrosine D oxidation and redox equilibrium in Photosystem II
    Åpne denne publikasjonen i ny fane eller vindu >>Tyrosine D oxidation and redox equilibrium in Photosystem II
    2017 (engelsk)Inngår i: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1858, nr 6, s. 407-417Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Tyrosine ID (Tyr(D)) is an auxiliary redox active tyrosine residue in photosystem II (PSII). The mechanism of Tyr(D) oxidation was investigated by EPR spectroscopy, flash-induced fluorescence decay and thermoluminescence measurements in PSII enriched membranes from spinach. PSII membranes were chemically treated with 3 mM ascorbate and 1 mM diaminodurene and subsequent washing, leading to the complete reduction of Tyr(D). Tyr(D) oxidation kinetics and competing recombination reactions were measured after a single saturating flash in the absence and presence of DCMU (inhibitor of the Q(B)-site) in the pH range of 4.7-8.5. Two kinetic phases of Tyro oxidation were observed by the time resolved EPR spectroscopy the fast phase (msec-sec time range) and the pH dependent slow phase (tens of seconds time range). In the presence of DCMU, Tyr(D) oxidation kinetics was monophasic in the entire pH range, i.e. only the fast kinetics was observed. The results obtained from the fluorescence and thermoluminescence analysis show that when forward electron transport is blocked in the presence of DCMU, the S(2)Q((S) over bar) recombination outcompetes the slow phase of Tyr(D) oxidation by the S-2 state. Modelling of the whole complex of these electron transfer events associated with Tyr(D) oxidation fitted very well with our experimental data. Based on these data, structural information and theoretical considerations we confirm our assignment of the fast and slow oxidation kinetics to two populations of PSII centers with different water positions (proximal and distal) in the Tyr(D) vicinity.

    Emneord
    Photosystem II, Electron transfer, Tyrosine D
    HSV kategori
    Forskningsprogram
    Biokemi
    Identifikatorer
    urn:nbn:se:uu:diva-320913 (URN)10.1016/j.bbabio.2017.02.011 (DOI)000402349000001 ()28235460 (PubMedID)
    Forskningsfinansiär
    Swedish Research Council, 621-2013-5937Swedish Energy Agency, 11674-5Knut and Alice Wallenberg Foundation, 2011.0067
    Tilgjengelig fra: 2017-04-27 Laget: 2017-04-27 Sist oppdatert: 2017-07-06bibliografisk kontrollert
    3. The triplet state of the primary donor, P680, in Photosystem II is not formed by far-red light at 5 K ; Implications for the localization of the primary radical pair.
    Åpne denne publikasjonen i ny fane eller vindu >>The triplet state of the primary donor, P680, in Photosystem II is not formed by far-red light at 5 K ; Implications for the localization of the primary radical pair.
    Vise andre…
    (engelsk)Manuskript (preprint) (Annet vitenskapelig)
    Emneord
    Photosystem II, P680, primary charge separation
    HSV kategori
    Identifikatorer
    urn:nbn:se:uu:diva-321127 (URN)
    Tilgjengelig fra: 2017-04-30 Laget: 2017-04-30 Sist oppdatert: 2017-05-04
    4. Formation of tyrosine radicals in photosystem II under far-red illumination
    Åpne denne publikasjonen i ny fane eller vindu >>Formation of tyrosine radicals in photosystem II under far-red illumination
    2018 (engelsk)Inngår i: Photosynthesis Research, ISSN 0166-8595, E-ISSN 1573-5079, Vol. 136, nr 1, s. 93-106Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Photosystem II (PS II) contains two redox-active tyrosine residues on the donor side at symmetrical positions to the primary donor, P680. TyrZ, part of the water-oxidizing complex, is a preferential fast electron donor while TyrD is a slow auxiliary donor to P680 +. We used PS II membranes from spinach which were depleted of the water oxidation complex (Mn-depleted PS II) to study electron donation from both tyrosines by time-resolved EPR spectroscopy under visible and far-red continuous light and laser flash illumination. Our results show that under both illumination regimes, oxidation of TyrD occurs via equilibrium with TyrZ at pH 4.7 and 6.3. At pH 8.5 direct TyrD oxidation by P680 + occurs in the majority of the PS II centers. Under continuous far-red light illumination these reactions were less effective but still possible. Different photochemical steps were considered to explain the far-red light-induced electron donation from tyrosines and localization of the primary electron hole (P680 +) on the ChlD1 in Mn-depleted PS II after the far-red light-induced charge separation at room temperature is suggested.

    Emneord
    Photosystem II, Tyrosine Z and D, electron transfer
    HSV kategori
    Forskningsprogram
    Kemi med inriktning mot biofysik
    Identifikatorer
    urn:nbn:se:uu:diva-320914 (URN)10.1007/s11120-017-0442-3 (DOI)000427394300007 ()28924898 (PubMedID)
    Forskningsfinansiär
    Swedish Research Council
    Tilgjengelig fra: 2017-04-27 Laget: 2017-04-27 Sist oppdatert: 2018-05-16bibliografisk kontrollert
    5. Role of the PsbTn, a small luminal protein in Photosystem II, in the redox reactions of Tyrosine D
    Åpne denne publikasjonen i ny fane eller vindu >>Role of the PsbTn, a small luminal protein in Photosystem II, in the redox reactions of Tyrosine D
    (engelsk)Manuskript (preprint) (Annet vitenskapelig)
    Emneord
    Photosystem II, PsbTn, TyrD
    HSV kategori
    Identifikatorer
    urn:nbn:se:uu:diva-321125 (URN)
    Tilgjengelig fra: 2017-04-30 Laget: 2017-04-30 Sist oppdatert: 2017-05-04
    6. The Donor-Acceptor side interactions in Photosystem II
    Åpne denne publikasjonen i ny fane eller vindu >>The Donor-Acceptor side interactions in Photosystem II
    (engelsk)Manuskript (preprint) (Annet vitenskapelig)
    Emneord
    Photosystem II, QA, QB, TyrZ, quinones
    HSV kategori
    Forskningsprogram
    Biokemi
    Identifikatorer
    urn:nbn:se:uu:diva-321124 (URN)
    Tilgjengelig fra: 2017-04-30 Laget: 2017-04-30 Sist oppdatert: 2017-05-04
  • 22.
    Ahmadova, Nigar
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Ho, Felix
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Styring, Stenbjörn
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Mamedov, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Tyrosine D oxidation and redox equilibrium in Photosystem II2017Inngår i: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1858, nr 6, s. 407-417Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Tyrosine ID (Tyr(D)) is an auxiliary redox active tyrosine residue in photosystem II (PSII). The mechanism of Tyr(D) oxidation was investigated by EPR spectroscopy, flash-induced fluorescence decay and thermoluminescence measurements in PSII enriched membranes from spinach. PSII membranes were chemically treated with 3 mM ascorbate and 1 mM diaminodurene and subsequent washing, leading to the complete reduction of Tyr(D). Tyr(D) oxidation kinetics and competing recombination reactions were measured after a single saturating flash in the absence and presence of DCMU (inhibitor of the Q(B)-site) in the pH range of 4.7-8.5. Two kinetic phases of Tyro oxidation were observed by the time resolved EPR spectroscopy the fast phase (msec-sec time range) and the pH dependent slow phase (tens of seconds time range). In the presence of DCMU, Tyr(D) oxidation kinetics was monophasic in the entire pH range, i.e. only the fast kinetics was observed. The results obtained from the fluorescence and thermoluminescence analysis show that when forward electron transport is blocked in the presence of DCMU, the S(2)Q((S) over bar) recombination outcompetes the slow phase of Tyr(D) oxidation by the S-2 state. Modelling of the whole complex of these electron transfer events associated with Tyr(D) oxidation fitted very well with our experimental data. Based on these data, structural information and theoretical considerations we confirm our assignment of the fast and slow oxidation kinetics to two populations of PSII centers with different water positions (proximal and distal) in the Tyr(D) vicinity.

  • 23.
    Ahmadova, Nigar
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Mamedov, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Formation of tyrosine radicals in photosystem II under far-red illumination2018Inngår i: Photosynthesis Research, ISSN 0166-8595, E-ISSN 1573-5079, Vol. 136, nr 1, s. 93-106Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Photosystem II (PS II) contains two redox-active tyrosine residues on the donor side at symmetrical positions to the primary donor, P680. TyrZ, part of the water-oxidizing complex, is a preferential fast electron donor while TyrD is a slow auxiliary donor to P680 +. We used PS II membranes from spinach which were depleted of the water oxidation complex (Mn-depleted PS II) to study electron donation from both tyrosines by time-resolved EPR spectroscopy under visible and far-red continuous light and laser flash illumination. Our results show that under both illumination regimes, oxidation of TyrD occurs via equilibrium with TyrZ at pH 4.7 and 6.3. At pH 8.5 direct TyrD oxidation by P680 + occurs in the majority of the PS II centers. Under continuous far-red light illumination these reactions were less effective but still possible. Different photochemical steps were considered to explain the far-red light-induced electron donation from tyrosines and localization of the primary electron hole (P680 +) on the ChlD1 in Mn-depleted PS II after the far-red light-induced charge separation at room temperature is suggested.

  • 24.
    Ahmadova, Nigar
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Mamedov*, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    The Donor-Acceptor side interactions in Photosystem IIManuskript (preprint) (Annet vitenskapelig)
  • 25.
    Ahmadova, Nigar
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Schröder*, Wolfgang P.
    Mamedov, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Role of the PsbTn, a small luminal protein in Photosystem II, in the redox reactions of Tyrosine DManuskript (preprint) (Annet vitenskapelig)
  • 26.
    Aitola, Kerttu
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Domanski, Konrad
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland..
    Correa-Baena, Juan-Pablo
    MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA..
    Sveinbjörnsson, Kári
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Saliba, Michael
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland..
    Abate, Antonio
    Univ Fribourg, Adolphe Merkle Inst, CH-1700 Fribourg, Switzerland..
    Graetzel, Michael
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland..
    Kauppinen, Esko
    Aalto Univ, Dept Appl Phys, POB 15100, Aalto 00076, Finland..
    Johansson, Erik M.J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Tress, Wolfgang
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland..
    Hagfeldt, Anders
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photomol Sci, CH-1015 Lausanne, Switzerland..
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    High Temperature-Stable Perovskite Solar Cell Based on Low-Cost Carbon Nanotube Hole Contact2017Inngår i: Advanced Materials, ISSN 0935-9648, E-ISSN 1521-4095, Vol. 29, nr 17, artikkel-id 1606398Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Mixed ion perovskite solar cells (PSC) are manufactured with a metal-free hole contact based on press-transferred single-walled carbon nanotube (SWCNT) film infiltrated with 2,2,7,-7-tetrakis(N, N-di-p-methoxyphenylamine)-9,90-spirobifluorene (Spiro-OMeTAD). By means of maximum power point tracking, their stabilities are compared with those of standard PSCs employing spin-coated Spiro-OMeTAD and a thermally evaporated Au back contact, under full 1 sun illumination, at 60 degrees C, and in a N-2 atmosphere. During the 140 h experiment, the solar cells with the Au electrode experience a dramatic, irreversible efficiency loss, rendering them effectively nonoperational, whereas the SWCNT-contacted devices show only a small linear efficiency loss with an extrapolated lifetime of 580 h.

  • 27.
    Aitola, Kerttu
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Halme, Janne
    Feldt, Sandra
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Lohse, Peter
    Borghei, Maryam
    Kaskela, Antti
    Nasibulin, Albert G.
    Kauppinen, Esko I.
    Lund, Peter D.
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hagfeldt, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Highly catalytic carbon nanotube counter electrode on plastic for dye solar cells utilizing cobalt-based redox mediator2013Inngår i: Electrochimica Acta, ISSN 0013-4686, E-ISSN 1873-3859, Vol. 111, s. 206-209Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A flexible, slightly transparent and metal-free random network of single-walled carbon nanotubes (SWCNTs) on plain polyethylene terephthalate (PET) plastic substrate outperformed platinum on conductive glass and on plastic as the counter electrode (CE) of a dye solar cell employing a Co(II/III)tris(2,2'-bipyridyl) complex redox mediator in 3-methoxypropionitrile solvent. The CE charge-transfer resistance of the SWCNT film was 0.60 Omega cm(2), 4.0 Omega cm(2) for sputtered platinum on indium tin oxide-PET substrate and 1.7 Omega cm(2) for thermally deposited Pt on fluorine-doped tin oxide glass, respectively. The solar cell efficiencies were in the same range, thus proving that an entirely carbon-based SWCNT film on plastic is as good CE candidate for the Co electrolyte. (C) 2013 Elsevier Ltd. All rights reserved.

  • 28.
    Aitola, Kerttu
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Sveinbjörnsson, Kári
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Correa-Baena, Juan-Pablo
    Ecole Polytech Fed Lausanne, Lab Photomol Sci, EPFL SB ISIC LSPM, CH G1 523,Chemin Alamb,Stn 6, CH-1015 Lausanne, Switzerland..
    Kaskela, Antti
    Aalto Univ, Sch Sci, Dept Appl Phys, POB 15100, FI-00076 Aalto, Finland..
    Abate, Antonio
    Ecole Polytech Fed Lausanne, Lab Photon & Interfaces, Inst Chem Sci & Engn, EPFL SB ISIC LPI, CH G1 526,Stn 6, CH-1015 Lausanne, Switzerland..
    Tian, Ying
    Aalto Univ, Sch Sci, Dept Appl Phys, POB 15100, FI-00076 Aalto, Finland..
    Johansson, Erik M. J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Graetzel, Michael
    Ecole Polytech Fed Lausanne, Lab Photon & Interfaces, Inst Chem Sci & Engn, EPFL SB ISIC LPI, CH G1 526,Stn 6, CH-1015 Lausanne, Switzerland..
    Kauppinen, Esko I.
    Aalto Univ, Sch Sci, Dept Appl Phys, POB 15100, FI-00076 Aalto, Finland..
    Hagfeldt, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Ecole Polytech Fed Lausanne, Lab Photomol Sci, EPFL SB ISIC LSPM, CH G1 523,Chemin Alamb,Stn 6, CH-1015 Lausanne, Switzerland..
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Carbon nanotube-based hybrid hole-transporting material and selective contact for high efficiency perovskite solar cells2016Inngår i: Energy & Environmental Science, ISSN 1754-5692, E-ISSN 1754-5706, Vol. 9, nr 2, s. 461-466Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We demonstrate a high efficiency perovskite solar cell with a hybrid hole-transporting material-counter electrode based on a thin single-walled carbon nanotube (SWCNT) film and a drop-cast 2,2,7,-7-tetrakis(N, N-di-p-methoxyphenylamine)-9,90-spirobifluorene (Spiro-OMeTAD) hole-transporting material (HTM). The average efficiency of the solar cells was 13.6%, with the record cell yielding 15.5% efficiency. The efficiency of the reference solar cells with spin-coated Spiro-OMeTAD hole-transportingmaterials (HTMs) and an evaporated gold counter electrode was 17.7% (record 18.8%), that of the cells with only a SWCNT counter electrode (CE) without additional HTM was 9.1% (record 11%) and that of the cells with gold deposited directly on the perovskite layer was 5% (record 6.3%). Our results show that it is possible to manufacture high efficiency perovskite solar cells with thin film (thickness less than 1 mu m) completely carbon-based HTMCEs using industrially upscalable manufacturing methods, such as press-transferred CEs and drop-cast HTMs.

  • 29.
    Aitola, Kerttu
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Zhang, Jinbao
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Vlachopoulos, Nick
    Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, SB ISIC LSPM, CH-1015 Lausanne, Switzerland..
    Halme, Janne
    Aalto Univ, Sch Sci, Dept Appl Phys, Aalto 00076, Finland..
    Kaskela, Antti
    Aalto Univ, Sch Sci, Dept Appl Phys, Aalto 00076, Finland..
    Nasibulin, Albert G.
    Aalto Univ, Sch Sci, Dept Appl Phys, Aalto 00076, Finland.;Skolkovo Inst Sci & Technol, Skolkovo, Russia..
    Kauppinen, Esko I.
    Aalto Univ, Sch Sci, Dept Appl Phys, Aalto 00076, Finland..
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hagfeldt, Anders
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Carbon nanotube film replacing silver in high-efficiency solid-state dye solar cells employing polymer hole conductor2015Inngår i: Journal of Solid State Electrochemistry, ISSN 1432-8488, E-ISSN 1433-0768, Vol. 19, nr 10, s. 3139-3144Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A semitransparent, flexible single-walled carbon nanotube (SWCNT) film was efficiently used in place of evaporated silver as the counter electrode of a poly(3,4-ethylenedioxythiophene) polymer-based solid-state dye solar cell (SSDSC): the solar-to-electrical energy conversion efficiency of the SWCNT-SSDSC was 4.8 % when it was 5.2 % for the Ag-SSDSC. The efficiency difference stemmed from a 0.1-V difference in the open-circuit voltage, whose reason was speculated to be related to the different recombination processes in the two types of SSDSCs.

  • 30.
    Ajalloueian, F.
    et al.
    Isfahan Univ Technol, Dept Text Engn, Ctr Excellence Appl Nanotechnol, Esfahan, Iran..
    Fransson, M.
    Uppsala universitet, Medicinska och farmaceutiska vetenskapsområdet, Medicinska fakulteten, Institutionen för immunologi, genetik och patologi.
    Tavanai, H.
    Isfahan Univ Technol, Dept Text Engn, Ctr Excellence Appl Nanotechnol, Esfahan, Iran..
    Hilborn, Jöns
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Polymerkemi.
    Magnusson, Peetra
    Uppsala universitet, Medicinska och farmaceutiska vetenskapsområdet, Medicinska fakulteten, Institutionen för immunologi, genetik och patologi, Klinisk immunologi. Uppsala Univ, Dept Immunol Genet & Pathol IGP, Uppsala, Sweden..
    Arpanaei, A.
    Natl Inst Genet Engn & Biotechnol, Dept Ind & Environm Biotechnol, Tehran, Iran..
    Comparing PLGA and PLGA/Chitosan Nanofibers Seeded by Msc: A Cell-scaffold Interaction Study2015Inngår i: Tissue Engineering. Part A, ISSN 1937-3341, E-ISSN 1937-335X, Vol. 21, s. S406-S407Artikkel i tidsskrift (Annet vitenskapelig)
  • 31.
    Ajalloueian, F.
    et al.
    Tech Univ Denmark, Copenhagen, Denmark..
    Hilborn, Jöns
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Polymerkemi.
    Fossum, M.
    Karolinska Inst, Stockholm, Sweden..
    Chronakis, I. S.
    Tech Univ Denmark, Copenhagen, Denmark..
    Integrated Micro/Nanofibrous PLGA-Collagen Scaffold: an Optimized Method for Plastic Compression of Collagen into PLGA Microfibers2015Inngår i: Tissue Engineering. Part A, ISSN 1937-3341, E-ISSN 1937-335X, Vol. 21, s. S347-S347Artikkel i tidsskrift (Annet vitenskapelig)
  • 32.
    Ajalloueian, Fatemeh
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Polymerkemi. Uppsala universitet, Science for Life Laboratory, SciLifeLab.
    Fransson, Moa
    Uppsala universitet, Medicinska och farmaceutiska vetenskapsområdet, Medicinska fakulteten, Institutionen för immunologi, genetik och patologi.
    Tavanai, Hossein
    Massuni, Mohammad
    Hilborn, Jöns
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Polymerkemi. Uppsala universitet, Science for Life Laboratory, SciLifeLab.
    LeBlanc, Katarina
    Arpanaei, Ayyoob
    Magnusson, Peetra
    Uppsala universitet, Medicinska och farmaceutiska vetenskapsområdet, Medicinska fakulteten, Institutionen för immunologi, genetik och patologi, Klinisk immunologi.
    Investigation of Human Mesenchymal Stromal Cells Cultured on PLGA orPLGA/Chitosan Electrospun Nanofibers2015Inngår i: Journal of Bioprocessing & Biotechniques, ISSN 2155-9821, Vol. 5, nr 6, artikkel-id 230Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We compared the viability, proliferation, and differentiation of human Mesenchymal Stromal Cells (MSC)after culture on poly(lactic-co-glycolic acid) (PLGA) and PLGA/chitosan (PLGA/CH) hybrid scaffolds. We appliedconventional and emulsion electrospinning techniques, respectively, for the fabrication of the PLGA and PLGA/CH scaffolds. Electrospinning under optimum conditions resulted in an average fiber diameter of 166 ± 33 nmfor the PLGA/CH and 680 ± 175 nm for the PLGA scaffold. The difference between the tensile strength of thePLGA and PLGA/CH nanofibers was not significant, but PLGA/CH showed a significantly lower tensile modulusand elongation at break. However, it should be noted that the extensibility of the PLGA/CH was higher than thatof the nanofibrous scaffolds of pure chitosan. As expected, a higher degree of hydrophilicity was seen with PLGA/CH, as compared to PLGA alone. The biocompatibility of the PLGA and PLGA/CH scaffolds was compared usingMTS assay as well as analysis by scanning electron microscopy and confocal microscopy. The results showed thatboth scaffold types supported the viability and proliferation of human MSC, with significantly higher rates on PLGA/CH nanofibers. Nonetheless, an analysis of gene expression of MSC grown on either PLGA or PLGA/CH showed asimilar differentiation pattern towards bone, nerve and adipose tissues.

  • 33.
    Ajalloueian, Fatemeh