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  • 51.
    Miles, J.
    et al.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Fernandes, D.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Young, A.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Bond, C. M. M.
    Queens Univ Belfast, Sch Math & Phys, Ctr Plasma Phys..
    Crane, S. W.
    Heriot Watt Univ, Inst Photon & Quantum Sci..
    Ghafur, O.
    Heriot Watt Univ, Inst Photon & Quantum Sci..
    Townsend, D.
    Heriot Watt Univ, Inst Photon & Quantum Sci.;Heriot Watt Univ, Inst Chem Sci..
    Sá, J.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Greenwood, J. B.
    Queens Univ Be, Ctr Plasma Phys.lfast, Sch Math & Phys.
    A new technique for probing chirality via photoelectron circular dichroism2017Inngår i: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 984, s. 134-139Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We present a proof-of-principle approach for discriminating chiral enantiomers based on the phenomenon of multiphoton photoelectron circular dichroism. A novel stereo detection setup was used to measure the number of photoelectrons emitted from chiral molecules in directions parallel or antiparallel to the propagation of the ionising femtosecond laser pulses. In this study, we show how these asymmetries in the ketones camphor and fenchone depend upon the ellipticity of the laser pulses and the enantiomeric excess of the sample. By using a high repetition rate femtosecond laser, enantiomer excesses with uncertainties at the few-percent level could be measured in close to real-time. As the instrument is compact, and commercial turnkey femtosecond lasers are readily available, the development of a stand-alone chiral analysis instrument for a range of applications is now possible.

  • 52. Nic An tSaoir, M.
    et al.
    Abreu Fernandes, D. L.
    Sa, J.
    McMaster, M.
    Kitagawa, K.
    Hardacre, C.
    Aiouache, F.
    Visualization of water vapour flow in a packed bed adsorber by near-infrared diffused transmittance tomography2011Inngår i: Chemical Engineering Science, ISSN 0009-2509, E-ISSN 1873-4405, Vol. 66, nr 24, s. 6407-23Artikkel i tidsskrift (Fagfellevurdert)
  • 53.
    Ozer, Lütfiye Y.
    et al.
    Khalifa Univ Sci & Technol, Masdar Inst Masdar City, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Apostoleris, Harry
    Khalifa Univ Sci & Technol, Masdar Inst Masdar City, Dept Mech Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Ravaux, Florent
    Khalifa Univ Sci & Technol, Masdar Inst Masdar City, Dept Mech Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Shylin, Sergii I.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Mamedov, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Lindblad, Andreas
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Johansson, Fredrik
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Molekyl- och kondenserade materiens fysik.
    Chiesa, Matteo
    Khalifa Univ Sci & Technol, Masdar Inst Masdar City, Dept Mech Engn, POB 54224, Abu Dhabi, U Arab Emirates; Arctic Univ Norway UiT, Arctic Renewable Energy Ctr ARC, Dept Phys & Technol, Tromso, Norway.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Palmisano, Giovanni
    Khalifa Univ Sci & Technol, Masdar Inst Masdar City, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Long-Lasting Non-hydrogenated Dark Titanium Dioxide: Medium Vacuum Anneal for Enhanced Visible Activity of Modified Multiphase Photocatalysts2018Inngår i: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 10, nr 14, s. 2949-2954Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Multiphase TiO2 was stably modified by vacuum treatment for a dramatic improvement in visible-light absorption and photocatalytic reactivity. The samples were made of rutile-brookite, bare or N doped, and were grown on reduced graphene oxide. The stable introduction of Ti3+ species and oxygen vacancies resulting in mitigated electron?hole recombination was identified as the main responsible factor, along with a change in surface charges.

  • 54. Patterson, Bruce D
    et al.
    Sa, Jacinto
    Ichsanow, Anastasija
    Hauri, Christoph P
    Vicario, Carlo
    Ruchert, Clemens
    Czekaj, Izabela
    Gehrig, Regula
    Sigg, Hans C
    van Bokhoven, Jeroen A
    Pedrini, Bill
    Abela, Rafael
    Can energetic terahertz pulses initiate surface catalytic reactions on the picosecond time scale?2011Inngår i: Chimia (Basel), ISSN 0009-4293, Vol. 65, nr 5, s. 323-5Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    In preparation for picosecond pump-probe experiments at the SwissFEL X-ray laser facility, the feasibility of collectively initiating surface chemical reactions using energetic pulses of terahertz radiation is being tested.

  • 55.
    Paun, Cristina
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Gizinski, Damian
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Zienkiewicz-Machnik, Malgorzata
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Banas, Dariusz
    Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Kubala-Kukus, Aldona
    Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    p-Nitrophenol flow hydrogenation with nano-Cu2O grafted on polymeric resin2017Inngår i: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 92, s. 61-64Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Hydrogenation is the most widely used method to reduce organic compounds. There is a demand for the development of active heterogeneous catalysts based on 3d transition metals for economical and environmental reasons. Herein, we report the first continuous-flow hydrogenation of p-nitrophenol to p-aminophenol with molecular hydrogen and heterogeneous nano-Cu2O as reducing agent and Catalyst, respectively. This reaction converts a known pollutant into a high value product with only water as by-product, which is also the solvent. One-pot synthesis methodology was adapted to prepare the catalyst, which confers sufficient nominal size for direct usage in flow reactions, which are preferred from an engineering, industrial, and environmental perspective. Catalyst reactivity was linked to difference in density-of-states between surface and bulk sites, and nanoscale size of active material.

  • 56. Paun, Cristina
    et al.
    Sa, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Hydrogenation by Silver Catalysts2016Inngår i: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, s. 155-195Kapittel i bok, del av antologi (Fagfellevurdert)
    Abstract [en]

    This chapter deals with hydrogenation mediated by silver metal present as supported and unsupported nanoparticles. In the chapter, we highlight synthetic procedures for the preparation of metallic silver nanoparticles and their applications in catalysis. The emphasis is on catalytic reactions for production of fine and pharmaceutical chemicals.

  • 57. Paun, Cristina
    et al.
    Safonova, Olga V.
    Szlachetko, Jakub
    Abdala, Paula M.
    Nachtegaal, Maarten
    Sa, Jacinto
    Kleymenov, Evgeny
    Cervellino, Antonio
    Krumeich, Frank
    van Bokhoven, Jeroen A.
    Polyhedral CeO2 Nanoparticles: Size-Dependent Geometrical and Electronic Structure2012Inngår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 116, nr 13, s. 7312-7317Artikkel i tidsskrift (Fagfellevurdert)
  • 58.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Abdellah, Mohamed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Department of Chemistry, Qena Faculty of Science, South Valley University, Qena, Egypt.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland.
    Hydrogen evolution with CsPbBr3 perovskite nanocrystals under visible light in solution2018Inngår i: MATERIALS TODAY COMMUNICATIONS, ISSN 2352-4928, Vol. 16, s. 90-96Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Direct proton photo-reduction to molecular hydrogen with a lead-halide perovskite photosystem is presented. The concept uses CsPbBr3 nanocrystals and Ru@TiO2 nanoparticles as light harvesters and catalyst, respectively. The photo-system attains charge transfer from donor to acceptor via collision events, established via static and ultrafast spectroscopy. The photo-system exhibits a photon-to-hydrogen efficiency of ca. 0.4%, a respectable efficiency for a system relying on effective collisions for the transference of electrons.

  • 59.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Alvarez, Sol Gutierrez
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hattori, Yocefu
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Messing, Maria E.
    Lund Univ, Solid State Phys & NanoLund, Box 118, S-22100 Lund, Sweden.
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Szlachetko, Jakub
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland;Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Silva, Jose Luis
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Araujo, Carlos Moyses
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Lu, Li
    Kiely, Christopher J.
    Lehigh Univ, Dept Mat Sci & Engn, 5 East Packer Ave, Bethlehem, PA 18015 USA.
    Abdellah, Mohamed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Nordlander, Peter
    Rice Univ, Dept Phys, 6100 South Main St, Houston, TX 77251 USA.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Hydrated Electron Generation by Excitation of Copper Localized Surface Plasmon Resonance2019Inngår i: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 10, nr 8, s. 1743-1749Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Hydrated electrons are important in radiation chemistry and charge transfer reactions, with applications that include chemical damage of DNA, catalysis, and signaling. Conventionally, hydrated electrons are produced by pulsed radiolysis, sonolysis, two-ultraviolet-photon laser excitation of liquid water, or photodetachment of suitable electron donors. Here we report a method for the generation of hydrated electrons via single-visible-photon excitation of localized surface plasmon resonances (LSPRs) of supported sub-3 nm copper nanoparticles in contact with water. Only excitations at the LSPR maximum resulted in the formation of hydrated electrons, suggesting that plasmon excitation plays a crucial role in promoting electron transfer from the nanoparticle into the solution. The reactivity of the hydrated electrons was confirmed via proton reduction and concomitant H-2 evolution in the presence of a Ru/TiO2 catalyst.

  • 60.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Cieślak,, A. M.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Abdellah, Mohamed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Budinská, Alena
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Pullen, Sonja
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Sokolowski, K.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Szlachetko, J.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Bastos, E. L
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Ott, Sascha
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Hammarström, Leif
    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.
    Lewinski, J.
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland; Warsaw Univ Technol, Fac Chem, PL-00661 Warsaw, Poland.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic2017Inngår i: Sustainable Energy & Fuels, ISSN 2398-4902, Vol. 1, s. 69-73Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Herein, we report a nano-hybrid photo-system based on abundant elements for H2 production with visible light. The photo-system's proficiency relates to the novel ZnO nanocrystals employed. The ZnO carboxylate oligoethylene glycol shell enhances charge separation and accumulates reactive electrons for the photocatalytic process. 

  • 61.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Fernandes, Arthur B.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Abdellah, Mohamed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström. South Valley Univ, Qena Fac Sci, Dept Chem, Qena 83523, Egypt.
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Machado, Caroline O.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Rocha, Igor
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Tekniska sektionen, Institutionen för teknikvetenskaper, Nanoteknologi och funktionella material.
    Hattori, Yocefu
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Paun, Cristina
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström.
    Bastos, Erick L.
    Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, BR-05508000 Sao Paulo, Brazil.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency2017Inngår i: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, artikkel-id 8670Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The efficient conversion of light energy into chemical energy is key for sustainable human development. Several photocatalytic systems based on photovoltaic electrolysis have been used to produce hydrogen via water reduction. However, in such devices, light harvesting and proton reduction are carried separately, showing quantum efficiency of about 10–12%. Here, we report a nano-hybrid photocatalytic assembly that enables concomitant reductive hydrogen production and pollutant oxidation with solar-to-fuel efficiencies up to 20%. The modular architecture of this plasmonic material allows the fine-tuning of its photocatalytic properties by simple manipulation of a reduced number of basic components.

  • 62.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    El-Zohry, Ahmed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Abdellah, Mohamed
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Nedelcu, Georgian
    ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland.;Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, CH-8600 Zurich, Switzerland..
    Kovalenko, Maksym V.
    ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland.;Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, CH-8600 Zurich, Switzerland..
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Magnetic Manipulation of Spontaneous Emission from Inorganic CsPbBr3 Perovskites Nanocrystals2016Inngår i: ADVANCED OPTICAL MATERIALS, ISSN 2195-1071, Vol. 4, nr 12, s. 2004-2008Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Metal halide perovskites have shown great potential for both light-absorbing and light-emitting devices. It is demonstrated that the presence of a low-magnetic field decreases dramatically the photoluminescence of CsPbBr3. This is found to be due to a decrease in charge separated state lifetime. The effect is fully reversible, and can be exploited for simple and remote modulation of the output of light-emitting devices.

  • 63.
    Pavliuk, Mariia V.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Gutiérrez Álvarez, Sol
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hattori, Yocefu
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Messing, Maria E.
    Czapla-Masztafiak, J.
    Szlachetko, J.
    Silva, Jose Luis
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Araujo, Carlos Moyses
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori.
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Lu, L.
    Kiely, C.J.
    Abdellah, Mohamed
    Nordlander, Peter
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Hydrated Electron Generation by Excitation of Localized Surface Plasmons in Copper NanoparticlesInngår i: Science Advances, E-ISSN 2375-2548Artikkel i tidsskrift (Fagfellevurdert)
  • 64.
    Rohr, Jason A.
    et al.
    Yale Univ, Energy Sci Inst, 520 West Campus Dr, West Haven, CT 06516 USA;Yale Univ, Dept Chem, 225 Prospect St, New Haven, CT 06511 USA.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.
    Konezny, Steven J.
    Yale Univ, Energy Sci Inst, 520 West Campus Dr, West Haven, CT 06516 USA;Yale Univ, Dept Chem, 225 Prospect St, New Haven, CT 06511 USA.
    The role of adsorbates in the green emission and conductivity of zinc oxide2019Inngår i: COMMUNICATIONS CHEMISTRY, ISSN 2399-3669, Vol. 2, artikkel-id 52Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Zinc oxide is a versatile semiconductor with an expansive range of applications including lighting, sensing and solar energy conversion. Two central phenomena coupled to its performance that remain heavily investigated are the origin of its sub-band-gap green emission and the nature of its conductivity. We report photoluminescence and dark conductivity measurements of zinc oxide nanoparticle films under various atmospheric conditions that demonstrate the vital role of adsorbates. We show that the UV emission and conductivity can be tuned reversibly by facilitating the adsorption of species that either donate or extract electrons from the conduction band. When the conductivity data are compared with photoluminescence spectra taken under the same ambient conditions, the green emission can be directly linked to surface superoxide formation, rather than surface hydroxylation or native defects such as oxygen vacancies. This demonstrates how and explains why the green emission can be controlled by surface reactivity and chemical environment.

  • 65.
    Sa, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Introduction to Heterogeneous Hydrogenation and Its Application in the Fine Chemicals Industry2016Inngår i: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, s. 1-35Kapittel i bok, del av antologi (Fagfellevurdert)
    Abstract [en]

    Catalytic hydrogenations are usually carried out with heterogeneous catalysts using molecular hydrogen as a reducing agent. This is an atom economic transformation and undoubtedly the cleanest hydrogenation method. Alternatively, hydrogen donors such as isopropanol or formic acid can be applied in transfer hydrogenations. This chapter aims to highlight some scientific developments and industrial applications of heterogeneous hydrogenation catalysts.

  • 66. Sa, Jacinto
    et al.
    Ace, Matthew
    Jose Delgado, Juan
    Goguet, Alexandre
    Hardacre, Christopher
    Morgan, Kevin
    Activation of Alkanes by Gold-Modified Lanthanum Oxide2011Inngår i: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 3, nr 2, s. 394-398Artikkel i tidsskrift (Fagfellevurdert)
  • 67. Sa, Jacinto
    et al.
    Agueera, Cristina Alcaraz
    Gross, Silva
    Anderson, James A.
    Photocatalytic nitrate reduction over metal modified TiO22009Inngår i: Applied Catalysis B: Environmental, ISSN 0926-3373, E-ISSN 1873-3883, Vol. 85, nr 3-4, s. 192-200Artikkel i tidsskrift (Fagfellevurdert)
  • 68. Sa, Jacinto
    et al.
    Anderson, James A.
    FTIR study of aqueous nitrate reduction over Pd/TiO22008Inngår i: Applied Catalysis B: Environmental, ISSN 0926-3373, E-ISSN 1873-3883, Vol. 77, nr 3-4, s. 409-417Artikkel i tidsskrift (Fagfellevurdert)
  • 69. Sa, Jacinto
    et al.
    Anderson, James
    Alcaraz, Cristina
    FUEL 215-Photodeposited metal clusters for photocatalytic conversion of CO2 to methanol2006Inngår i: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 232Artikkel i tidsskrift (Fagfellevurdert)
  • 70. Sa, Jacinto
    et al.
    Barrabes, Noelia
    Kleymenov, Evgeny
    Lin, Chen
    Foettinger, Karin
    Safonova, Olga V.
    Szlachetko, Jakub
    van Bokhoven, Jeroen A.
    Nachtegaal, Maarten
    Urakawa, Atsushi
    Crespo, Gaston A.
    Rupprechter, Guenther
    The oxidation state of copper in bimetallic (Pt-Cu, Pd-Cu) catalysts during water denitration2012Inngår i: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 2, nr 4, s. 794-799Artikkel i tidsskrift (Fagfellevurdert)
  • 71. Sa, Jacinto
    et al.
    Bernardi, Johannes
    Anderson, James A.
    Imaging of low temperature induced SMSI on Pd/TiO2 catalysts2007Inngår i: Catalysis Letters, ISSN 1011-372X, E-ISSN 1572-879X, Vol. 114, nr 1-2, s. 91-95Artikkel i tidsskrift (Fagfellevurdert)
  • 72.
    Sa, Jacinto
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland..
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Sci, PL-31342 Krakow, Poland.;Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Lipiec, Ewelina
    Polish Acad Sci, Inst Nucl Sci, PL-31342 Krakow, Poland..
    Kayser, Yves
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Szlachetko, Jakub
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland..
    Dufrasne, Francois
    Univ Libre Bruxelles, Lab Chim Pharmaceut Organ, Campus Pl CP205-5,Bd Triomphe, B-1050 Brussels, Belgium..
    Berger, Gilles
    Univ Libre Bruxelles, Lab Chim Pharmaceut Organ, Campus Pl CP205-5,Bd Triomphe, B-1050 Brussels, Belgium.;MIT, Dept Chem, Cambridge, MA 02139 USA..
    Resonant X-ray emission spectroscopy of platinum(II) anticancer complexes2016Inngår i: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 141, nr 4, s. 1226-1232Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Platinum-based drugs are commonly used in cancer treatment. The biological activity of a metallodrug is obviously closely related to its chemical and stereochemical characteristics. An overlooked aspect is the effect of the ligand to the electronic structure of the metal atom (coordinated atom). We report herein a Resonant X-ray Emission Spectroscopy (RXES) study on the chemical speciation of chiral platinum complexes in which diastereomers are distinguished on the basis of their metal electronic configuration. This demonstrates RXES high chemical speciation capabilities, a necessary property to further investigate the reactivity of the Pt atom towards nucleophiles or bionucleophiles, and an important complement the previously reported RXES abilities, namely that it can be employed for in situ studies at physiological concentrations.

  • 73. Sa, Jacinto
    et al.
    Fernandez-Garcia, Marcos
    Anderson, James A.
    Photoformed electron transfer from TiO2 to metal clusters2008Inngår i: Catalysis communications, ISSN 1566-7367, E-ISSN 1873-3905, Vol. 9, nr 10, s. 1991-1995Artikkel i tidsskrift (Fagfellevurdert)
  • 74. Sa, Jacinto
    et al.
    Friedli, Peter
    Geiger, Richard
    Lerch, Philippe
    Rittmann-Frank, Mercedes H.
    Milne, Christopher J.
    Szlachetko, Jakub
    Santomauro, Fabio G.
    van Bokhoven, Jeroen A.
    Chergui, Majed
    Rossi, Michel J.
    Sigg, Hans
    Transient mid-IR study of electron dynamics in TiO2 conduction band (vol 138, pg 1966, 2013)2013Inngår i: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 138, nr 24, s. 7420-7420Artikkel i tidsskrift (Fagfellevurdert)
  • 75. Sa, Jacinto
    et al.
    Montero, Janine
    Duncan, Elizabeth
    Anderson, James A.
    Bi modified Pd/SnO2 catalysts for water denitration2007Inngår i: Applied Catalysis B: Environmental, ISSN 0926-3373, E-ISSN 1873-3883, Vol. 73, nr 1-2, s. 98-105Artikkel i tidsskrift (Fagfellevurdert)
  • 76.
    Sa, Jacinto
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Srebowata, Anna
    Res GDRI Catalyse PAN CNRS, Int Grp, Warsaw, Poland..
    Hydrogenation With Low-Cost Transition Metals: Preface2016Inngår i: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, s. VII-VIIIKapittel i bok, del av antologi (Fagfellevurdert)
  • 77. Sa, Jacinto
    et al.
    Szlachetko, Jakub
    Heterogeneous Catalysis Experiments at XFELs. Are we Close to Producing a Catalysis Movie?2014Inngår i: Catalysis Letters, ISSN 1011-372X, E-ISSN 1572-879X, Vol. 144, nr 2, s. 197-203Artikkel i tidsskrift (Fagfellevurdert)
  • 78. Sa, Jacinto
    et al.
    Szlachetko, Jakub
    Kleymenov, Evgeny
    Lothschuetz, Christian
    Nachtegaal, Maarten
    Ranocchiari, Marco
    Safonova, Olga V.
    Servalli, Marco
    Smolentsev, Grigory
    van Bokhoven, Jeroen A.
    Fine tuning of gold electronic structure by IRMOF post-synthetic modification2013Inngår i: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 3, nr 30, s. 12043-12048Artikkel i tidsskrift (Fagfellevurdert)
  • 79. Sa, Jacinto
    et al.
    Tagliabue, Giulia
    Friedli, Peter
    Szlachetko, Jakub
    Rittmann-Frank, Mercedes H.
    Santomauro, Fabio G.
    Milne, Christopher J.
    Sigg, Hans
    Direct observation of charge separation on Au localized surface plasmons2013Inngår i: Energy & Environmental Science, ISSN 1754-5692, E-ISSN 1754-5706, Vol. 6, nr 12, s. 3584-3588Artikkel i tidsskrift (Fagfellevurdert)
  • 80. Sa, Jacinto
    et al.
    Taylor, Sarah Frances Rebecca
    Daly, Helen
    Goguet, Alexandre
    Tiruvalam, Ramchandra
    He, Qian
    Kiely, Christopher J.
    Hutchings, Graham J.
    Hardacre, Christopher
    Redispersion of Gold Supported on Oxides2012Inngår i: ACS Catalysis, ISSN 2155-5435, E-ISSN 2155-5435, Vol. 2, nr 4, s. 552-560Artikkel i tidsskrift (Fagfellevurdert)
  • 81. Sa, Jacinto
    et al.
    van Bokhoven, Jeroen
    Foettinger, Karin
    Novel materials for heterogeneous catalysis preface2013Inngår i: Catalysis Today, ISSN 0920-5861, E-ISSN 1873-4308, Vol. 208, s. 1-1Artikkel i tidsskrift (Fagfellevurdert)
  • 82.
    Shylin, Sergii I.
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Pavliuk, Mariia V.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    D'Amario, Luca
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Mamedov, Fikret
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Berggren, Gustav
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Molekylär biomimetik.
    Fritsky, Igor O.
    Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska 64, 01601 Kiev, Ukraine .
    Efficient visible light-driven water oxidation catalysed by an iron(IV) clathrochelate complex2019Inngår i: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 55, nr 23, s. 3335-3338Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A water-stable FeIV clathrochelate complex catalyzes fast and homogeneous photochemical oxidation of water to dioxygen with a turnover frequency of 2.27 s−1 and a maximum turnover number of 365. An FeV intermediate generated under catalytic conditions is trapped and characterised using EPR and Mössbauer spectroscopy.

  • 83.
    Srebowata, Anna
    et al.
    Res GDRI Catalyse PAN CNRS, Int Grp, Warsaw, Poland..
    Sa, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-00901 Warsaw, Poland.;Ecole Polytech Fed Lausanne, Lab Ultrafast Spect, CH-1015 Lausanne, Switzerland..
    Hydrogenation by Nickel Catalysts2016Inngår i: Hydrogenation With Low-Cost Transition Metals, CRC PRESS-TAYLOR & FRANCIS GROUP , 2016, s. 37-78Kapittel i bok, del av antologi (Fagfellevurdert)
    Abstract [en]

    This chapter deals with hydrogenation mediated by nickel metal presence as supported and unsupported nanoparticles. In the chapter, we highlight synthetic procedures for the preparation of metallic nickel nanoparticles, and their applications to the catalytic reactions important in technological and environmental points of view. The main target is reactions carried out for fine and pharmaceutical chemical production.

  • 84. Stere, Cristina E.
    et al.
    Goguet, Alex
    Hardacre, Chris E.
    Sa, Jacinto
    Fernandes, Daniel L.
    Investigation of the promotional effect of H-2 on the CO oxidation over monolithic catalysts2014Inngår i: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247Artikkel i tidsskrift (Fagfellevurdert)
  • 85. Stibal, David
    et al.
    Sa, Jacinto
    van Bokhoven, Jeroen A.
    One-pot photo-reductive N-alkylation of aniline and nitroarene derivatives with primary alcohols over Au-TiO22013Inngår i: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 3, nr 1, s. 94-98Artikkel i tidsskrift (Fagfellevurdert)
  • 86. Szlachetko, Jakub
    et al.
    Ferri, Davide
    Marchionni, Valentina
    Kambolis, Anastasios
    Safonova, Olga V
    Milne, Christopher J
    Kröcher, Oliver
    Nachtegaal, Maarten
    Sá, Jacinto
    Subsecond and in situ chemical speciation of Pt/Al(2)O(3) during oxidation-reduction cycles monitored by high-energy resolution off-resonant X-ray spectroscopy.2013Inngår i: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 135, nr 51, s. 19071-4Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We report an in situ time-resolved high-energy resolution off-resonant spectroscopy study with subsecond resolution providing insight into the oxidation and reduction steps of a Pt catalyst during CO oxidation. The study shows that the slow oxidation step is composed of two characteristic stages, namely, dissociative adsorption of oxygen followed by partial oxidation of Pt subsurface. By comparing the experimental spectra with theoretical calculations, we found that the intermediate chemisorbed O on Pt is adsorbed on atop position, which suggests surface poisoning by CO or surface reconstruction.

  • 87.
    Szlachetko, Jakub
    et al.
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland;Polish Acad Sci, Inst Nucl Phys, Radzikowskiego 152, PL-31342 Krakow, Poland.
    Kubas, Adam
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    Cieslak, Anna Maria
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    Sokolowski, Kamil
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    Makolski, Lukasz
    Warsaw Univ Technol, Fac Chem, Noakowskiego 3, PL-00664 Warsaw, Poland.
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Phys, Radzikowskiego 152, PL-31342 Krakow, Poland.
    Sá, Jacinto
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland.
    Lewinski, Janusz
    Polish Acad Sci, Inst Phys Chem, Kasprzaka 44-52, PL-01224 Warsaw, Poland;Warsaw Univ Technol, Fac Chem, Noakowskiego 3, PL-00664 Warsaw, Poland.
    Hidden gapless states during thermal transformations of preorganized zinc alkoxides to zinc oxide nanocrystals2018Inngår i: Materials Horizons, ISSN 2051-6347, E-ISSN 2051-6355, Vol. 5, nr 5, s. 905-911Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Zinc oxide (ZnO) is one of the most versatile semiconductor materials with multifarious potential applications. Easily accessible alkylzinc alkoxides have been widely exploited as single-source precursors of ZnO-based nanomaterials but their multi-step decomposition pathways have not been understood in detail. Herein, the formation mechanism of ZnO nanocrystals via solid-state thermal decomposition of a model pre-organised alkylzinc alkoxide precursor, i.e. [tBuZn(mu(3)-OtBu)](4), is elucidated using in situ valence-to-core X-ray emission (v2c-XES) and high energy resolution off-resonant spectroscopy (HEROS) in conjunction with theoretical calculations. Combination of in situ spectroscopic measurements and theoretical simulations indicates that the precursor structural evolution is initiated by the homolytic cleavage of the R-Zn bond, which leads to the formation of a transient radical ([center dot Zn(mu(3)-OR)][RZn(mu(3)-OR)](3)) species, which is responsible for the initial decomposition process. The ensuing multistep transformations involve the formation of intermediate radical zinc oxo-alkoxide clusters with gapless electronic states. Hitherto, the formation of clusters of this type has not been considered either as intermediate structures en route to a semiconductor ZnO phase or as potential species accounting for various defect states of ZnO NCs, particularly the singly charged oxygen vacancy, V-o(+).

  • 88. Szlachetko, Jakub
    et al.
    Michalow-Mauke, Katarzyna
    Nachtegaal, Maarten
    Sa, Jacinto
    Determination of conduction and valence band electronic structure of anatase and rutile TiO22014Inngår i: Journal of Chemical Sciences, ISSN 0974-3626, Vol. 126, nr 2, s. 511-515Artikkel i tidsskrift (Fagfellevurdert)
  • 89. Szlachetko, Jakub
    et al.
    Nachtegaal, Maarten
    Sá, Jacinto
    Dousse, Jean-Claude
    Hoszowska, Joanna
    Kleymenov, Evgeny
    Janousch, Markus
    Safonova, Olga V
    König, Christian
    van Bokhoven, Jeroen A
    High energy resolution off-resonant spectroscopy at sub-second time resolution: (Pt(acac)2) decomposition.2012Inngår i: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 48, nr 88, s. 10898-900Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We report on the decomposition of platinum acetylacetonate (Pt(acac)(2)) in hydrogen induced by flash heating. The changes in the local Pt structure were followed by high energy resolution off-resonant spectroscopy uniquely performed with sub-second time resolution. The decomposition consists of a two-step reduction process of the Pt(II) species.

  • 90. Szlachetko, Jakub
    et al.
    Pichler, Markus
    Pergolesi, Daniele
    Sa, Jacinto
    Lippert, Thomas
    Determination of conduction and valence band electronic structure of La2Ti2O7 thin film2014Inngår i: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 4, nr 22, s. 11420-11422Artikkel i tidsskrift (Fagfellevurdert)
  • 91. Szlachetko, Jakub
    et al.
    Sa, Jacinto
    Rational design of oxynitride materials: From theory to experiment2013Inngår i: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 15, nr 14, s. 2583-2587Artikkel i tidsskrift (Fagfellevurdert)
  • 92. Szlachetko, Jakub
    et al.
    Sa, Jacinto
    Nachtegaal, Maarten
    Hartfelder, Urs
    Dousse, Jean-Claude
    Hoszowska, Joanna
    Abreu Fernandes, Daniel Luis
    Shi, Hongqing
    Stampfl, Catherine
    Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction2014Inngår i: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 5, nr 1, s. 80-84Artikkel i tidsskrift (Fagfellevurdert)
  • 93. Sá, Jacinto
    et al.
    Arteaga, Geomar D
    Daley, Robert A
    Bernardi, Johannes
    Anderson, James A
    Factors influencing hydride formation in a Pd/TiO2 catalyst.2006Inngår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, nr 34, s. 17090-5Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A sample containing Pd nanoparticles deposited on TiO(2) was subjected to a series of different thermal pretreatments. The range of these treatments was selected to provide a palladium surface in a number of different states, including a form where TiO(x) overlayers had been formed. Experiments were conducted to determine how the state of the Pd surface influenced the formation of Pd hydride. The amount of hydrogen released during a temperature-programmed experiment was used to quantify the extent of Pd beta-hydride formation following room-temperature exposure to hydrogen. Samples were characterized by HAADF (high-angle annular dark-field) electron microscopy with EDX (energy-dispersive X-ray) analysis and CO pulse chemisorption and FTIR (Fourier transform infrared spectroscopy) of adsorbed CO. The amount and the ease with which Pd beta-hydride was formed was found to be dependent on the metal surface area, the presence of titania overlayers, and the Pd surface roughness/defect concentration.

  • 94.
    Sá, Jacinto
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Fernandes, Daniel L. A.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Pavliuk, Mariia V.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi.
    Szlachetko, Jakub
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.;Jan Kochanowski Univ Humanities & Sci, Inst Phys, Swietokrzyska 15 St, PL-25406 Kielce, Poland..
    Controlling dark catalysis with quasi half-cycle terahertz pulses2017Inngår i: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 7, nr 5, s. 1050-1054Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    This study reports the changes in the platinum electronic structure induced by a strong electric field originated from quasi half-cycle THz pulses, which forces the C-O molecule to dissociate. The changes could be rationalized via a simple analysis of the local density-of-states and easily characterised via high resolution X-ray absorption spectroscopy (HR-XAS). Thus, conferring half-cycle THz pulses the capability of triggering dark catalytic processes required to follow real time catalytic bond rupture or formation, i.e., time-resolved measurements using THz as the pump and HR-XAS as the probe.

  • 95. Sá, Jacinto
    et al.
    Fernandes, Daniel Luis Abreu
    Aiouache, Farid
    Goguet, Alexandre
    Hardacre, Christopher
    Lundie, David
    Naeem, Wasif
    Partridge, William P
    Stere, Cristina
    SpaciMS: spatial and temporal operando resolution of reactions within catalytic monoliths.2010Inngår i: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 135, nr 9, s. 2260-72Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Monolithic catalysts are widely used as structured catalysts, especially in the abatement of pollutants. Probing what happens inside these monoliths during operation is, therefore, vital for modelling and prediction of the catalyst behavior. SpaciMS is a spatially resolved capillary-inlet mass spectroscopy system allowing for the generation of spatially resolved maps of the reactions within monoliths. In this study SpaciMS results combined with 3D CFD modelling demonstrate that SpaciMS is a highly sensitive and minimally invasive technique that can provide reaction maps as well as catalytic temporal behavior. Herein we illustrate this by examining kinetic oscillations during a CO oxidation reaction over a Pt/Rh on alumina catalyst supported on a cordierite monolith. These oscillations were only observed within the monolith by SpaciMS between 30 and 90% CO conversion. Equivalent experiments performed in a plug-flow reactor using this catalyst in a crushed form over a similar range of reaction conditions did not display any oscillations demonstrating the importance of intra monolith analysis. This work demonstrates that the SpaciMS offers an accurate and comprehensive picture of structured catalysts under operation.

  • 96. Sá, Jacinto
    et al.
    Friedli, Peter
    Geiger, Richard
    Lerch, Philippe
    Rittmann-Frank, Mercedes H
    Milne, Christopher J
    Szlachetko, Jakub
    Santomauro, Fabio G
    van Bokhoven, Jeroen A
    Chergui, Majed
    Rossi, Michel J
    Sigg, Hans
    Transient mid-IR study of electron dynamics in TiO2 conduction band.2013Inngår i: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 138, nr 7, s. 1966-70Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The dynamics of TiO2 conduction band electrons were followed with a novel broadband synchrotron-based transient mid-IR spectroscopy setup. The lifetime of conduction band electrons was found to be dependent on the injection method used. Direct band gap excitation results in a lifetime of 2.5 ns, whereas indirect excitation at 532 nm via Ru-N719 dye followed by injection from the dye into TiO2 results in a lifetime of 5.9 ns.

  • 97.
    Sá, Jacinto
    et al.
    Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Fysikalisk kemi. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland..
    Garlisi, Corrado
    Khalifa Univ Sci & Technol, Masdar Inst, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates..
    Palmisano, Giovanni
    Khalifa Univ Sci & Technol, Masdar Inst, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates..
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland..
    Kayser, Yves
    Phys Tech Bundesanstalt, Abbestr 2-12, D-10587 Berlin, Germany..
    Szlachetko, Jakub
    Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland.;Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland..
    Differences between bulk and surface electronic structure of doped TiO2 with soft-elements (C, N and S)2018Inngår i: Materials Chemistry and Physics, ISSN 0254-0584, E-ISSN 1879-3312, Vol. 208, s. 281-288Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Herein, we report a systematic study on the electronic structure of surface and bulk TiO2 doped with C, N or S. The results were attained with a semi-empirical method consisting of a combination between resonant X-ray emission spectroscopy (RXES) measurements and localized density of states (LDOS) simulations. Experimental TiO2 RXES data was used to fit FEFF code empirical parameters, and subsequently frozen for the theoretical analysis of LDOS of TiO2 doped materials. The results show significant electronic structure differences between bulk and surface doping, as well as in the nearest Ti atom electronic structure if it is located at the surface or sub-surface, with potential consequences to the photo-catalytic process. The methodology can be adapted to study other dopants, morphologies, structures and surface terminations and as well as other inorganic semiconductors.

  • 98. Sá, Jacinto
    et al.
    Goguet, Alexandre
    Taylor, S F Rebecca
    Tiruvalam, Ramchandra
    Kiely, Christopher J
    Nachtegaal, Maarten
    Hutchings, Graham J
    Hardacre, Christopher
    Influence of methyl halide treatment on gold nanoparticles supported on activated carbon.2011Inngår i: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 50, nr 38, s. 8912-6Artikkel i tidsskrift (Fagfellevurdert)
  • 99. Sá, Jacinto
    et al.
    Kartusch, Christiane
    Makosch, Martin
    Paun, Cristina
    van Bokhoven, Jeroen A
    Kleymenov, Evgeny
    Szlachetko, Jakub
    Nachtegaal, Maarten
    Manyar, Haresh G
    Hardacre, Christopher
    Evaluation of Pt and Re oxidation state in a pressurized reactor: difference in reduction between gas and liquid phase.2011Inngår i: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 47, nr 23, s. 6590-2Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Determination of metal oxidation state under relevant working conditions is crucial to understand catalytic behaviour. The reduction behaviour of Pt and Re was evaluated simultaneously as a function of support and solvent in a pressurized reactor (autoclave). The bimetallic catalysts are used in selective hydrogenation of carboxylic acids and amides. Gas phase reduction reduced the metals more efficiently, in particular Pt.

  • 100. Sá, Jacinto
    et al.
    Kayser, Yves
    Milne, Christopher J
    Abreu Fernandes, Daniel Luis
    Szlachetko, Jakub
    Temperature-programmed reduction of NiO nanoparticles followed by time-resolved RIXS.2014Inngår i: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 16, nr 17, s. 7692-6Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The electronic structure of nano-NiO was determined using resonant inelastic X-ray scattering (RIXS) spectroscopy. The nanosized NiO particles were reduced in situ, leading to the formation of metallic Ni in a single step. Time-resolved RIXS elucidated in real time the changes on the occupied and unoccupied electronic structure of the material, which are dramatically affected by the reduction process.

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