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  • 1.
    Jain, Sagar Motilal
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Swansea Univ Bay Campus, Coll Engn, SPECIFIC, Fabian Way, Swansea SA1 8EN, W Glam, Wales.
    Qiu, Zhen
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Häggman, Leif
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Mirmohades, Mohammad
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Johansson, Malin B.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Edvinsson, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Frustrated Lewis pair-mediated recrystallization of CH3NH3PbI3 for improved optoelectronic quality and high voltage planar perovskite solar cells2016Ingår i: Energy & Environmental Science, ISSN 1754-5692, E-ISSN 1754-5706, Vol. 9, nr 12, s. 3770-3782Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Films of the hybrid lead halide perovskite CH3NH3PbI3 were found to react with pyridine vapor at room temperature leading to complete bleaching of the film. In dry air or nitrogen atmosphere recrystallization takes place, leading to perovskite films with markedly improved optical and photovoltaic properties. The physical and chemical origin of the reversible bleaching and recrystallization mechanism was investigated using a variety of experimental techniques and quantum chemical calculations. The strong Lewis base pyridine attacks the CH3NH3PbI3. The mechanism can be understood from a frustrated Lewis pair formation with a partial electron donation of the lone-pair on nitrogen together with competitive bonding to other species as revealed by Raman spectroscopy and DFT calculations. The bleached phase consists of methylammonium iodide crystals and an amorphous phase of PbI2( pyridine)(2). After spontaneous recrystallization the CH3NH3PbI3 thin films have remarkably improved photoluminescence, and solar cell performance increased from 9.5% for as-deposited films to more than 18% power conversion efficiency for recrystallized films in solar cells with planar geometry under AM1.5G illumination. Hysteresis was negligible and open-circuit potential was remarkably high, 1.15 V. The results show that complete recrystallization can be achieved with a simple room temperature pyridine vapor treatment of CH3NH3PbI3 films leading to high quality crystallinity films with drastically improved photovoltaic performance.

  • 2.
    Johansson, Malin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Nanocrystalline Tungsten Trioxide Thin Films: Structural, Optical and Electronic Characterization2014Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    This thesis concerns experimental studies of nanocrystalline tungsten trioxide thin films. Functional properties of WO3 have interesting applications in research areas connected to energy efficiency and green nanotechnology. The studies in this thesis are focused on characterization of fundamental electronic and optical properties in the semiconducting transition metal oxide WO3. The thesis includes also applied studies of photocatalytic and photoelectrochemical properties of the material.

        All nanocrystalline WO3 thin films were prepared using DC magnetron sputtering. It was found that structures like hexagonal and triclinic phase with different properties can be produced with sputtering technique. Thin film deposition has been performed using different process parameters with emphasis on sputter pressure and films that mainly consist of monoclinic γ-phase, with small contributions of ε-phase. Changes in the pressure are shown to affect the number of oxygen vacancies in the WO3 thin film, with close to stoichiometric WO3 formed at high pressures (30 mTorr), and slightly sub-stochiometric WO3-x, x = 0.005 at lower pressures (10 mTorr). Both stoichiometric and sub-stoichiometric thin films have been characterized by several structural, optical and electronic techniques.

       The electronic structure and especially band gap states have been explored and optical properties of WO3 and WO3-x have been studied in detail. The band gap has been determined to be in the range 2.7-2.9 eV. Absorption due to polaron absorption (W5+  -W6+), oxygen vacancy sites (Vo -W6+), and due to differently charged oxygen vacancy states in the band gap have been determined by spectrophotometry and photoluminescence spectroscopy, in good agreement with resonant inelastic x-ray spectroscopy and theoretical calculations. The density of electronic states in the band gap was determined from cyclic voltammetry measurements, which correlate with O vacancy concentration as compared with near infrared absorption.  

       By combining different experimental methods a thorough characterization of the band gap states have been possible and this opens up the opportunity to tailor the WO3 functionalities. WO3 has been shown to be visible active photocatalyst, and a promising electrode material as inferred from photo-oxidation and water splitting measurements, respectively. Links between device performance in photoelectrochemical experiments, charge transport and the electronic structure have been elucidated.

    Delarbeten
    1. Structural and optical properties of visible active photocatalytic WO3 thin films prepared by reactive dc magnetron sputtering
    Öppna denna publikation i ny flik eller fönster >>Structural and optical properties of visible active photocatalytic WO3 thin films prepared by reactive dc magnetron sputtering
    2012 (Engelska)Ingår i: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 27, nr 24, s. 3130-3140Artikel i tidskrift (Refereegranskat) Published
    Abstract [en]

    Nanostructured tungsten trioxide films were prepared by reactive dc magnetron sputteringat different working pressures P-tot = 1-4 Pa. The films were characterized by scanning electron microscopy, x-ray diffraction, Rutherford backscattering spectroscopy, Raman spectroscopy, and ultraviolet-visible spectrophotometry. The films were found to exhibit predominantly monoclinic structures and have similar band gap, E-g approximate to 2.8 eV, with a pronounced Urbach tail extending down to 2.5 eV. At low P-tot, strained film structures formed, which were slightly reduced and showed polaron absorption in the near-infrared region. The photodegradation rate of stearic acid was found to correlate with the stoichiometry and polaron absorption. This is explained by a recombination mechanism, whereby photoexcited electron-hole pairs recombine with polaron states in the band gap. The quantum yield decreased by 50% for photon energies close to E-g due to photoexcitations to band gap states lying below the O-2 affinity level.

    Nationell ämneskategori
    Nanoteknik Den kondenserade materiens fysik Materialkemi
    Forskningsämne
    Teknisk fysik med inriktning mot nanoteknologi och funktionella material; Teknisk fysik med inriktning mot fasta tillståndets fysik
    Identifikatorer
    urn:nbn:se:uu:diva-187494 (URN)10.1557/jmr.2012.384 (DOI)000312394400012 ()
    Forskningsfinansiär
    Vetenskapsrådet, 2010-3514
    Tillgänglig från: 2012-12-06 Skapad: 2012-12-06 Senast uppdaterad: 2017-12-07Bibliografiskt granskad
    2. Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations
    Öppna denna publikation i ny flik eller fönster >>Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations
    Visa övriga...
    2013 (Engelska)Ingår i: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 25, nr 20, s. 205502-Artikel i tidskrift (Refereegranskat) Published
    Abstract [en]

    The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.

    Nationell ämneskategori
    Teknik och teknologier
    Forskningsämne
    Teknisk fysik med inriktning mot fasta tillståndets fysik
    Identifikatorer
    urn:nbn:se:uu:diva-201786 (URN)10.1088/0953-8984/25/20/205502 (DOI)000318556100013 ()
    Tillgänglig från: 2013-06-17 Skapad: 2013-06-17 Senast uppdaterad: 2018-06-26Bibliografiskt granskad
    3. Band gap states in nanocrystalline WO3 thin films studied by soft x-ray spectroscopy, optical absorption spectroscopy and density functional calculations
    Öppna denna publikation i ny flik eller fönster >>Band gap states in nanocrystalline WO3 thin films studied by soft x-ray spectroscopy, optical absorption spectroscopy and density functional calculations
    Visa övriga...
    (Engelska)Manuskript (preprint) (Övrigt vetenskapligt)
    Nationell ämneskategori
    Atom- och molekylfysik och optik
    Identifikatorer
    urn:nbn:se:uu:diva-211849 (URN)
    Tillgänglig från: 2013-12-02 Skapad: 2013-12-02 Senast uppdaterad: 2015-06-24
    4. Photoelectrochemical properties of nanocrystalline WO3 thin films prepared by DC magnetron sputtering
    Öppna denna publikation i ny flik eller fönster >>Photoelectrochemical properties of nanocrystalline WO3 thin films prepared by DC magnetron sputtering
    Visa övriga...
    (Engelska)Manuskript (preprint) (Övrigt vetenskapligt)
    Nationell ämneskategori
    Teknik och teknologier
    Forskningsämne
    Teknisk fysik med inriktning mot fasta tillståndets fysik
    Identifikatorer
    urn:nbn:se:uu:diva-211852 (URN)
    Tillgänglig från: 2013-12-02 Skapad: 2013-12-02 Senast uppdaterad: 2014-01-24
    5. Optical properties of nanocrystalline WO3 and WO3-x thin films prepared by DC magnetron sputtering
    Öppna denna publikation i ny flik eller fönster >>Optical properties of nanocrystalline WO3 and WO3-x thin films prepared by DC magnetron sputtering
    2014 (Engelska)Ingår i: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 115, nr 21, s. 213510-Artikel i tidskrift (Refereegranskat) Published
    Abstract [en]

    The optical properties of tungsten trioxide thin films prepared by DC magnetron sputtering, withdifferent oxygen vacancy (Vo) concentration, have been studied by spectrophotometry andphotoluminescence (PL) emission spectroscopy. Absorption and PL spectra show that the filmsexhibit similar band gap energies, Eg 2.9 eV. The absorption spectra of the films show twopronounced absorption bands in the near-infrared region. One peak (P1) is located atapproximately 0.7 eV, independent of Vo concentration. A second peak (P2) shifts from 0.96 eV to1.16 eV with decreasing Vo concentration. Peak P1 is assigned to polaron absorption due totransitions between tungsten sites (W5þ!W6þ), or an optical transition from a neutral vacancystate to the conduction band, Vo0!W6þ. The origin of peak P2 is more uncertain but may involveþ1 and þ2 charged vacancy sites. The PL spectra show several emission bands in the range 2.07 to3.10 eV in the more sub-stoichiometric and 2.40 to 3.02 eV in the less sub-stoichiometric films.The low energy emission bands agree well with calculated optical transition energies of oxygenvacancy sites, with dominant contribution from neutral and singly charged vacancies in the lesssub-stoichiometric films, and additional contributions from doubly charged vacancy sites in themore sub-stoichiometric films.

    Ort, förlag, år, upplaga, sidor
    American Institute of Physics (AIP), 2014
    Nationell ämneskategori
    Fysik Teknik och teknologier Den kondenserade materiens fysik
    Forskningsämne
    Teknisk fysik med inriktning mot fasta tillståndets fysik
    Identifikatorer
    urn:nbn:se:uu:diva-228539 (URN)10.1063/1.4880162 (DOI)000337161600016 ()
    Tillgänglig från: 2014-07-17 Skapad: 2014-07-16 Senast uppdaterad: 2017-12-05Bibliografiskt granskad
  • 3.
    Johansson, Malin B.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Baldissera, Gustavo
    Kungliga Tekniska Högskolan.
    Valyukh, Iryna
    Linköpings Universitet.
    Persson, Clas
    Kungliga Tekniska Högskolan.
    Arwin, Hans
    Linköpings Universitet.
    Niklasson, Gunnar A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations2013Ingår i: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 25, nr 20, s. 205502-Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.

  • 4.
    Johansson, Malin B.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Edvinsson, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Bitter, S
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Eriksson, Anna
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Johansson, Erik
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Göthelid, Mats
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    From Quantum Dots to Micro Crystals: Organolead TriiodidePerovskite Crystal Growth from Isopropanol Solution2016Ingår i: ECS Journal of Solid State Science and Technology, ISSN 2162-8769, E-ISSN 2162-8777, Vol. 5, nr 10, s. P614-P620Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The growth mechanism and dependence on precursor conditions are vital for creation of high quality crystalline materials in many fields. Here the growth from nano sized quantum dots to micro crystalline methyl ammonium lead tri-iodide (MAPbI(3)) perovskites prepared from isopropanol solution are reported. Isopropanol is more environmental friendly compared to the commonly used solvents DMF or DMSO, both with relatively high toxicity and the proposed method can be a useful new route to prepare hybrid perovskites. Three different molar ratios of MAPbI3 perovskite solution (MAI:PbI2 of 1: 1, 2: 1 and 0.5: 1) were applied to give insights in the crystal formation mechanism also under non-stoichiometric conditions. Perovskite crystal growth is followed by TEM. From XRD powder diffraction the lattice constants have been determined and compared with results from electron diffraction (ED). Interestingly, there seems to be an occurrence of the cubic phase besides the common tetragonal phase at room temperature.

  • 5.
    Johansson, Malin B
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Kristiansen, Paw
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Baldissera, G
    Duda, Laurent C
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Persson, C
    Niklasson, Gunnar A
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Band gap states in nanocrystalline WO3 thin films studied by soft x-ray spectroscopy, optical absorption spectroscopy and density functional calculationsManuskript (preprint) (Övrigt vetenskapligt)
  • 6. Johansson, Malin B
    et al.
    Kristiansen, Paw
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Baldissera, G
    Duda, Laurent C
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Persson, C
    Niklasson, Gunnar A
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Sub-band gap electronic states in nanocrystalline WO3 thin films studied by soft x-ray spectroscopy, optical absorption spectroscopy and density functional calculationsManuskript (preprint) (Övrigt vetenskapligt)
  • 7.
    Johansson, Malin B.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Mattsson, Andreas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Lindquist, Sten-Eric
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Niklasson, Gunnar A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    The Importance of Oxygen Vacancies in Nanocrystalline WO3−x ThinFilms Prepared by DC Magnetron Sputtering for Achieving High Photoelectrochemical Efficiency2017Ingår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, nr 13, s. 7412-7420Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The photoelectrochemical properties of tungsten oxide thinfilms with different stoichiometry (WO3−x) and thickness were investigated.The films were sputtered in O2/Ar gas (ratio 0.43) on glass substrates coatedwith fluorine-doped tin dioxide at two sputter pressures, Ptot = 10 and 30mTorr, yielding O/W ratios of the films, averaged over three samples, of 2.995and 2.999 (x ∼ 0.005 and x ∼ 0.001), respectively. The films were characterizedby X-ray diffraction, scanning electron microscopy, and spectrophotometry.The 10 mTorr samples showed large absorption in the near-infrared (NIR)range, whereas the 30 mTorr samples had a small absorption in this region. Theconcentration of oxygen vacancy band gap states was estimated from cyclicvoltammetry and was found to correlate with the optical absorption in the NIRregion. The incident photon to current efficiency for illumination from theelectrolyte side (IPCEEE) and substrate electrode side (IPCESE) showed higherefficiency for the more stoichiometric films, indicating that oxygen vacancies in the band gap act as recombination centers.Surprisingly high values of IPCEEE and IPCESE were found, and it was concluded that efficient charge separation and transporttake place almost throughout the entire film even for film electrodes as thick as 2 μm. Analysis of the spectral distribution of thephotoresponse (action spectra) using an extended Gärtner−Butler model to calculate the IPCE for front-side and back-sideillumination was performed and showed that the diffusion length is large, of the order of the depletion layer thickness.

  • 8.
    Johansson, Malin B
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Niklasson, Gunnar A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Structural and optical properties of visible active photocatalytic WO3 thin films prepared by reactive dc magnetron sputtering2012Ingår i: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 27, nr 24, s. 3130-3140Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Nanostructured tungsten trioxide films were prepared by reactive dc magnetron sputteringat different working pressures P-tot = 1-4 Pa. The films were characterized by scanning electron microscopy, x-ray diffraction, Rutherford backscattering spectroscopy, Raman spectroscopy, and ultraviolet-visible spectrophotometry. The films were found to exhibit predominantly monoclinic structures and have similar band gap, E-g approximate to 2.8 eV, with a pronounced Urbach tail extending down to 2.5 eV. At low P-tot, strained film structures formed, which were slightly reduced and showed polaron absorption in the near-infrared region. The photodegradation rate of stearic acid was found to correlate with the stoichiometry and polaron absorption. This is explained by a recombination mechanism, whereby photoexcited electron-hole pairs recombine with polaron states in the band gap. The quantum yield decreased by 50% for photon energies close to E-g due to photoexcitations to band gap states lying below the O-2 affinity level.

  • 9.
    Johansson, Malin B
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Philippe, Bertrand
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Strukturkemi. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Banerjee, Amitava
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Phuyal, Dibya
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Chakraborty, Sudip
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Cameau, Mathis
    Zhu, Huimin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Ahuja, Rajeev
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Teoretisk fysik. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Nanoteknologi och funktionella material. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Rensmo, Håkan
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Johansson, Erik M. J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Cesium bismuth iodide, CsxBiyIz, solar cell compounds from systematic molar ratio variationManuskript (preprint) (Övrigt vetenskapligt)
  • 10.
    Johansson, Malin B
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Philippe, Bertrand
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Banerjee, Amitava
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Phuyal, Dibya
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Mukherjee, Soham
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Chakraborty, Sudip
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Cameau, Mathis
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Zhu, Huimin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Ahuja, Rajeev
    Uppsala Univ, Dept Phys & Astron, Mat Theory Div, Condensed Matter TRoyal Inst Technol, Dept Mat & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Rensmo, Håkan
    Johansson, Erik
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Cesium Bismuth Iodide Solar Cells from Systematic Molar Ratio Variation of CsI and BiI32019Ingår i: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 58, nr 18, s. 12040-12052Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Metal halide compounds with photovoltaic properties prepared from solution have received increased attention for utilization in solar cells. In this work, low-toxicity cesium bismuth iodides are synthesized from solution, and their photovoltaic and, optical properties as well as electronic and crystal structures are investigated. The X-ray diffraction patterns reveal that a CsI/BiI3 precursor ratio of 1.5:1 can convert pure rhombohedral BiI3 to pure hexagonal Cs3Bi2I9, but any ratio intermediate of this stoichiometry and pure BiI3 yields a mixture containing the two crystalline phases Cs3Bi2I9 and BiI3, with their relative fraction depending on the CsI/BiI3 ratio. Solar cells from the series of compounds are characterized, showing the highest efficiency for the compounds with a mixture of the two structures. The energies of the valence band edge were estimated using hard and soft X-ray photoelectron spectroscopy for more bulk and surface electronic properties, respectively. On the basis of these measurements, together with UV-vis-near-IR spectrophotometry, measuring the band gap, and Kelvin probe measurements for estimating the work function, an approximate energy diagram has been compiled clarifying the relationship between the positions of the valence and conduction band edges and the Fermi level.

  • 11.
    Johansson, Malin B
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Xie, Ling
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap.
    Edvinsson, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Thyr, Jakob
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Göthelid, Mats
    KTH Royal Institute of Technology.
    Niklasson, Gunnar
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Porous Fractals of MAPbI3 Perovskite: Characterization of Crystal Grain Formation by Irreversible Diffusion-Limited Aggregation2018Konferensbidrag (Refereegranskat)
    Abstract [en]

    Isopropanol solution based methylammonium lead triiodide (MAPbI3) is studied during the crystallization process. The crystal growth starts in an unstable suspension far from equilibrium by forming different dendritic patterns and terminates with aggregation of stable cubic crystalline grains into fractal clusters. Using transmission electron microscopy (TEM), the time evolution of a newly mixed suspension was studied over a period of two weeks at room temperature and a sequence of the morphological changes was observed. The crystallization process started with single dendritic growth exhibiting branches at 90 degrees angles to one another. After 4 hours, a multi-dendritic growth pattern and a transformation into small crystalline quantum dots were observed. After a week, clusters of crystal grains were formed into a fractal pattern and these patterns appear to be stable also during the second week. Electron and x-ray diffraction revealed the crystallinity of the quantum dots and the clusters of micrometer-sized crystals. Scanning transmission electron microscope (STEM) together with energy dispersive X-ray spectroscopy (EDS) showed that newly formed large grains, from a one hour old solution, displayed a core-shell structure with higher percentage of Pb atoms as compared to iodine at the surface. In the inner core of the grains the percentage of iodine was slightly higher. The electron diffraction (ED) scan over the newly formed grains revealed a polycrystalline surface whereas the inner part had a single crystal pattern. The same solution, now one-week-old, contained grains with only single crystal patterns in the ED scan and showed no core-shell character or polycrystalline surface. The measured percentage of iodine atoms compared to lead was 2:1 throughout the cross section, which is a quantitative value within the measurement. It can be concluded from these measurements that the suspension approaches higher crystallinity of the perovskite grains in an irreversible process, where the perovskite grains are insoluble in isopropanol. The perovskite material has also been characterized with scanning electron microscopy (SEM) and photoluminescence (PL) mapping where both techniques showed a very porous crystalline material. The PL mapping revealed two peaks at 730 and 760 nm for a thin film spin coated from a newly mixed solution, while a film deposited from a one week old solution showed three peaks, the last one at 830 nm. Because of the high crystallinity, it is suggested that all three peaks are due to band-to-band transitions and not due to localized states. These data will be analyzed further; however, the results contain information of the content of quantum dots versus larger crystals, as well as displaying emission intensity variations at different positions of the grains. The purpose with this project is to understand these phenomena of crystal growth. A new mesoporous perovskite material has been designed for optoelectronic purposes.

  • 12.
    Johansson, Malin B.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Zietz, Burkhard
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Niklasson, Gunnar A
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Optical properties of nanocrystalline WO3 and WO3-x thin films prepared by DC magnetron sputtering2014Ingår i: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 115, nr 21, s. 213510-Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The optical properties of tungsten trioxide thin films prepared by DC magnetron sputtering, withdifferent oxygen vacancy (Vo) concentration, have been studied by spectrophotometry andphotoluminescence (PL) emission spectroscopy. Absorption and PL spectra show that the filmsexhibit similar band gap energies, Eg 2.9 eV. The absorption spectra of the films show twopronounced absorption bands in the near-infrared region. One peak (P1) is located atapproximately 0.7 eV, independent of Vo concentration. A second peak (P2) shifts from 0.96 eV to1.16 eV with decreasing Vo concentration. Peak P1 is assigned to polaron absorption due totransitions between tungsten sites (W5þ!W6þ), or an optical transition from a neutral vacancystate to the conduction band, Vo0!W6þ. The origin of peak P2 is more uncertain but may involveþ1 and þ2 charged vacancy sites. The PL spectra show several emission bands in the range 2.07 to3.10 eV in the more sub-stoichiometric and 2.40 to 3.02 eV in the less sub-stoichiometric films.The low energy emission bands agree well with calculated optical transition energies of oxygenvacancy sites, with dominant contribution from neutral and singly charged vacancies in the lesssub-stoichiometric films, and additional contributions from doubly charged vacancy sites in themore sub-stoichiometric films.

  • 13.
    Johansson, Malin
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Uppsala Univ, Div Phys Chem, Angstrom Lab, Dept Chem, Box 523, SE-75120 Uppsala, Sweden..
    Edvinsson, Tomas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Bitter, Stefan
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Eriksson, Anna I. K.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Johansson, Erik
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Göthelid, M.
    KTH Royal Inst Technol, Div Mat & Nano Phys, SE-16440 Stockholm, Sweden..
    Boschloo, Gerrit
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Nano Crystals to Micro Crystals: Organolead Triiodide Perovskite Crystal Growth from Isopropanol Solution2016Ingår i: HIGH PURITY AND HIGH MOBILITY SEMICONDUCTORS 14 / [ed] Simoen, E Falster, R Kononchuk, O Nakatsuka, O Claeys, C, ELECTROCHEMICAL SOC INC , 2016, nr 4, s. 161-178Konferensbidrag (Refereegranskat)
    Abstract [en]

    The growth mechanism and dependence on precursor conditions are vital for creation of high quality crystalline materials in many fields. Here the growth from nano sized quantum dots to micro crystalline methyl ammonium lead tri-iodide (MAPbI(3)) perovskites prepared from isopropanol solution are reported. Isopropanol is more environmental friendly compared to the commonly used solvents DMF or DMSO, both with relatively high toxicity and the proposed method can be a useful new route to prepare hybrid perovskites. Three different molar ratios of MAPbI3 perovskite solution (MAI: PbI2 of 1: 1, 2: 1 and 0.5: 1) were applied to give insights in the crystal formation mechanism also under non-stoichiometric conditions. Perovskite crystal growth is followed by TEM. From XRD powder diffraction the lattice constants have been determined and compared with results from electron diffraction (ED). Interestingly, there seems to be an occurrence of the cubic phase besides the common tetragonal phase at room temperature.

  • 14.
    Johansson, Malin
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Mattsson, Andreas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Lindquist, Sten-Eric
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Niklasson, Gunnar A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Österlund, Lars
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Photoelectrochemical properties of nanocrystalline WO3 thin films prepared by DC magnetron sputteringManuskript (preprint) (Övrigt vetenskapligt)
  • 15.
    Karimipour, Masoud
    et al.
    Vali E Asr Univ Rafsanjan, Dept Phys, Rafsanjan 7713936417, Iran.
    Heydari-Bafrooei, Esmaeil
    Vali E Asr Univ Rafsanjan, Dept Chem, Fac Sci, Rafsanjan 7718897111, Iran.
    Sanjari, Mahjubeh
    Vali E Asr Univ Rafsanjan, Dept Phys, Rafsanjan 7713936417, Iran.
    Johansson, Malin B
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Molaei, Mehdi
    Vali E Asr Univ Rafsanjan, Dept Phys, Rafsanjan 7713936417, Iran.
    A glassy carbon electrode modified with TiO2(200)-rGO hybrid nanosheets for aptamer based impedimetric determination of the prostate specific antigen2019Ingår i: Microchimica Acta, ISSN 0026-3672, E-ISSN 1436-5073, Vol. 186, nr 1, artikel-id 33Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    TiO2(200)-rGO hybrid nanosheets were synthesized starting from TiO2, rGO and NaOH solid powders via a scalable hydrothermal process. The weight ratio of TiO2-GO was found to be crucial on the crystal growth and biosensor properties of the final hybrid nanosheets. They were characterized by means of SEM, FESEM-EDX, XRD, XPS, Raman and FTIR spectroscopies in order to verify the formation of very thin TiO2 anatase nanosheets with an orientation of the anatase crystal structure towards the (200) plane. The free active sites of TiO2 structure and the large surface of the 2D graphene structure strongly facilitate charge transport confirmed by BET-BJH analyses. Compared to pure AuNPs, rGO and TiO2, the hybrid nanosheet modified electrode represents the most sensitive aptasensing platform for the determination of PSA. The detection was based on that the variation of electron transfer resistance (Rct) at the modified electrode surface in a solution containing 3.0mmolL(-1) [Fe(CN)(6)](3-/4-) as a redox probe and 0.1molL(-1) KCl as supporting electrolyte. The detection limit of the sensor is 1pgmL(-1), and the sensor can be operated up to 30days. It was applied to the analysis of PSA levels in spiked serum samples obtained from patients with prostate cancer. Data compare well with those obtained by an immunoradiometric assay.

  • 16.
    Odelros, S.
    et al.
    Sandvik Coromant R&D, Sweden.
    Kaplan, B.
    Sandvik Coromant R&D, Sweden.
    Kritikos, M.
    Sandvik Coromant R&D, Sweden.
    Johansson, Malin
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Fasta tillståndets fysik.
    Norgren, Susanne
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Tillämpad materialvetenskap. Sandvik Coromant R&D, Sweden.
    Experimental and theoretical study of the microscopic crater wear mechanism in titanium machining2017Ingår i: Wear, ISSN 0043-1648, E-ISSN 1873-2577, Vol. 376, s. 115-124Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Continuous turning of Ti6AI4V with uncoated WC-Co cutting tool inserts mainly results in crater wear on the rake face of the tool. The crater is located close to the cutting edge and increases in size with increased time in cut. The flank wear remains minor until the point when the crater reaches a critical size so that the edge deforms plastically and edge breakage occurs. To understand the crater wear degradation mechanisms, this study focuses on examining the worn tool at different stages, using both experimental and theoretical techniques, as well as under static and dynamic conditions. A layer of adhered work-piece material is observed in the crater. The present study shows both experimental and theoretical evidence of carbon depletion of the WC in the crater and formation of W (bcc) at the interface during wet continuous longitudinal turning of Ti6AI4V. This has been demonstrated for the first time. In addition, indications of a carbon rich compound, possibly MC, where M=Ti, V and W, are also observed. These observations are verified by simulation of the diffusion process. Furthermore, diffusion simulations indicate that a liquid may form at the tool/chip interface in the crater zone during machining. Turning is a dynamic process, however, to study the chemical driving forces in this system under static conditions, a means of verification of which phases will form is needed. Therefore, a diffusion couple consisting of the same materials is prepared and analyzed. Similar results are obtained for the diffusion couple as for the worn tool, indicating that the chemical wear is an important degradation parameter. The diffusion couple results are also compared to a numerical simulation of the diffusion process.

  • 17.
    Paulraj, Alagar Raj
    et al.
    KTH Royal Inst Technol, Dept Chem Engn, SE-10044 Stockholm, Sweden.
    Kiros, Yohannes
    KTH Royal Inst Technol, Dept Chem Engn, SE-10044 Stockholm, Sweden.
    Chamoun, Mylad
    Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    Svengren, Henrik
    Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    Noréus, Dag
    Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
    Göthelid, Mats
    KTH Royal Inst Technol, Mat Phys, SCI, S-16440 Kista, Sweden.
    Skårman, Björn
    Hoganas AB, SE-26383 Hoganas, Sweden.
    Vidarsson, Hilmar
    Hoganas AB, SE-26383 Hoganas, Sweden.
    Johansson, Malin B.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Electrochemical Performance and in Operando Charge Efficiency Measurements of Cu/Sn-Doped Nano Iron Electrodes2019Ingår i: Batteries, ISSN 2313-0105, Vol. 5, nr 1, artikel-id 1Artikel i tidskrift (Refereegranskat)
    Abstract [en]