| Year |
Citation |
Score |
| 2020 |
Wang X, Arvidsson AA, Skoglundh M, Hellman A, Carlsson PA. Desorption products during linear heating of copper zeolites with pre-adsorbed methanol. Physical Chemistry Chemical Physics : Pccp. PMID 32159551 DOI: 10.1039/C9Cp05479K |
0.339 |
|
| 2020 |
Singh AP, Tossi C, Tittonen I, Hellman A, Wickman B. Synergies of co-doping in ultra-thin hematite photoanodes for solar water oxidation: In and Ti as representative case Rsc Advances. 10: 33307-33316. DOI: 10.1039/D0Ra04576D |
0.364 |
|
| 2020 |
Valter M, Santos ECd, Pettersson LGM, Hellman A. Partial Electrooxidation of Glycerol on Close-Packed Transition Metal Surfaces: Insights from First-Principles Calculations Journal of Physical Chemistry C. 124: 17907-17915. DOI: 10.1021/Acs.Jpcc.0C04002 |
0.337 |
|
| 2020 |
Singh AP, Levinsson A, Iandolo B, Oksanen J, Hellman A, Wickman B. Improved water oxidation performance of ultra-thin planar hematite photoanode: Synergistic effect of In/Sn doping and an overlayer of metal oxyhydroxides Journal of Photochemistry and Photobiology a-Chemistry. 401: 112781. DOI: 10.1016/J.Jphotochem.2020.112781 |
0.414 |
|
| 2019 |
Huš M, Hellman A. Ethylene Epoxidation on Ag(100), Ag(110), and Ag(111): A Joint Ab Initio and Kinetic Monte Carlo Study and Comparison with Experiments Acs Catalysis. 9: 1183-1209. DOI: 10.1021/Acscatal.8B04512 |
0.383 |
|
| 2019 |
Engedahl U, Grönbeck H, Hellman A. First-principles study of oxidation state and coordination of Cu-Dimers in Cu-SSZ-13 during methane-to-methanol reaction conditions Journal of Physical Chemistry C. 123: 26145-26150. DOI: 10.1021/Acs.Jpcc.9B07954 |
0.562 |
|
| 2019 |
Cusinato L, Hellman A. Structure and Composition Modification of Ultrasmall Palladium Nanoparticles upon Hydrogenation from First Principles Journal of Physical Chemistry C. 123: 18609-18619. DOI: 10.1021/Acs.Jpcc.9B02724 |
0.304 |
|
| 2019 |
Wang RB, Hellman A. Hybrid Functional Study of the Electro-oxidation of Water on Pristine and Defective Hematite (0001) The Journal of Physical Chemistry C. 123: 2820-2827. DOI: 10.1021/Acs.Jpcc.8B06580 |
0.424 |
|
| 2019 |
Huš M, Grilc M, Pavlišič A, Likozar B, Hellman A. Multiscale modelling from quantum level to reactor scale: An example of ethylene epoxidation on silver catalysts Catalysis Today. 338: 128-140. DOI: 10.1016/J.Cattod.2019.05.022 |
0.423 |
|
| 2019 |
Singh AP, Saini N, Mehta BR, Hellman A, Iandolo B, Wickman B. Hydrogen treatment and FeOOH overlayer: Effective approaches for enhancing the photoelectrochemical water oxidation performance of bismuth vanadate thin films Catalysis Today. 87-93. DOI: 10.1016/J.Cattod.2018.03.041 |
0.368 |
|
| 2018 |
Hagman B, Posada-Borbón A, Schaefer A, Shipilin M, Zhang C, Merte LR, Hellman A, Lundgren E, Grönbeck H, Gustafson J. Steps control the dissociation of CO on Cu(100). Journal of the American Chemical Society. PMID 30226048 DOI: 10.1021/Jacs.8B07906 |
0.587 |
|
| 2018 |
Wang RB, Hellman A. Surface terminations of hematite (α-Fe2O3) exposed to oxygen, hydrogen, or water: Dependence on the DFT methodology. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29790856 DOI: 10.1088/1361-648X/Aac743 |
0.391 |
|
| 2018 |
Wang RB, Hellman A. Initial water adsorption on hematite (α-Fe2O3) (0001): A DFT + U study The Journal of Chemical Physics. 148: 094705. DOI: 10.1063/1.5020358 |
0.381 |
|
| 2018 |
Valter M, Busch M, Wickman B, Grönbeck H, Baltrusaitis J, Hellman A. Electrooxidation of Glycerol on Gold in Acidic Medium: A Combined Experimental and DFT Study The Journal of Physical Chemistry C. 122: 10489-10494. DOI: 10.1021/Acs.Jpcc.8B02685 |
0.601 |
|
| 2018 |
Posada-Borbón A, Hagman B, Schaefer A, Zhang C, Shipilin M, Hellman A, Gustafson J, Grönbeck H. Initial oxidation of Cu(100) studied by X-ray photo-electron spectroscopy and density functional theory calculations Surface Science. 675: 64-69. DOI: 10.1016/J.Susc.2018.04.015 |
0.622 |
|
| 2018 |
Huš M, Hellman A. Dipole effect on ethylene epoxidation: Influence of alkali metals and chlorine Journal of Catalysis. 363: 18-25. DOI: 10.1016/J.Jcat.2018.04.008 |
0.406 |
|
| 2017 |
Wickman B, Bastos Fanta A, Burrows A, Hellman A, Wagner JB, Iandolo B. Iron Oxide Films Prepared by Rapid Thermal Processing for Solar Energy Conversion. Scientific Reports. 7: 40500. PMID 28091573 DOI: 10.1038/Srep40500 |
0.367 |
|
| 2017 |
Taifan W, Arvidsson AA, Nelson E, Hellman A, Baltrusaitis J. CH4 and H2S reforming to CH3SH and H2 catalyzed by metal-promoted Mo6S8 clusters: a first-principles micro-kinetic study Catalysis Science & Technology. 7: 3546-3554. DOI: 10.1039/C7Cy00857K |
0.32 |
|
| 2017 |
Arvidsson AA, Zhdanov VP, Carlsson P, Grönbeck H, Hellman A. Metal dimer sites in ZSM-5 zeolite for methane-to-methanol conversion from first-principles kinetic modelling: is the [Cu–O–Cu]2+ motif relevant for Ni, Co, Fe, Ag, and Au? Catalysis Science & Technology. 7: 1470-1477. DOI: 10.1039/C6Cy02521H |
0.577 |
|
| 2017 |
Busch M, Wang RB, Hellman A, Rossmeisl J, Grönbeck H. The Influence of Inert Ions on the Reactivity of Manganese Oxides The Journal of Physical Chemistry C. 122: 216-226. DOI: 10.1021/Acs.Jpcc.7B10760 |
0.591 |
|
| 2017 |
Wang X, Arvidsson A, Cichocka MO, Zou X, Martin NM, Nilsson J, Carlson S, Gustafson J, Skoglundh M, Hellman A, Carlsson P. Methanol Desorption from Cu-ZSM-5 Studied by in Situ Infrared Spectroscopy and First-Principles Calculations Journal of Physical Chemistry C. 121: 27389-27398. DOI: 10.1021/Acs.Jpcc.7B07067 |
0.36 |
|
| 2016 |
Adams EC, Merte LR, Hellman A, Skoglundh M, Gustafson J, Bendixen EC, Gabrielsson P, Bertram F, Evertsson J, Zhang C, Carlson S, Carlsson PA. The structure-function relationship for alumina supported platinum during the formation of ammonia from nitrogen oxide and hydrogen in the presence of oxygen. Physical Chemistry Chemical Physics : Pccp. PMID 27039829 DOI: 10.1039/C5Cp07624B |
0.432 |
|
| 2016 |
Iandolo B, Wickman B, Svensson E, Paulsson D, Hellman A. Tailoring Charge Recombination in Photoelectrodes Using Oxide Nanostructures. Nano Letters. 16: 2381-6. PMID 26978576 DOI: 10.1021/Acs.Nanolett.5B05154 |
0.342 |
|
| 2016 |
Baltrusaitis J, Valter M, Hellman A. Geometry and electronic properties of glycerol adsorbed on bare and transition-metal surface-alloyed Au(111): A density functional theory study Journal of Physical Chemistry C. 120: 1749-1757. DOI: 10.1021/Acs.Jpcc.5B11544 |
0.442 |
|
| 2015 |
Jiao Y, Hellman A, Fang Y, Gao S, Käll M. Schottky barrier formation and band bending revealed by first- principles calculations. Scientific Reports. 5: 11374. PMID 26065401 DOI: 10.1038/Srep11374 |
0.319 |
|
| 2015 |
Wettergren K, Hellman A, Cavalca F, Zhdanov VP, Langhammer C. Unravelling the dependence of hydrogen oxidation kinetics on the size of Pt nanoparticles by in operando nanoplasmonic temperature sensing. Nano Letters. 15: 574-80. PMID 25479190 DOI: 10.1021/Nl504042U |
0.357 |
|
| 2015 |
Iandolo B, Wickman B, Zorić I, Hellman A. The rise of hematite: origin and strategies to reduce the high onset potential for the oxygen evolution reaction Journal of Materials Chemistry. 3: 16896-16912. DOI: 10.1039/C5Ta03362D |
0.337 |
|
| 2015 |
Iandolo B, Zhang H, Wickman B, Zorić I, Conibeer G, Hellman A. Correlating flat band and onset potentials for solar water splitting on model hematite photoanodes Rsc Advances. 5: 61021-61030. DOI: 10.1039/C5Ra10215D |
0.39 |
|
| 2015 |
Trinchero A, Klacar S, Paz-Borbón LO, Hellman A, Grönbeck H. Oxidation at the Subnanometer Scale Journal of Physical Chemistry C. 119: 10797-10803. DOI: 10.1021/Jp508302B |
0.616 |
|
| 2015 |
Zhang C, Lundgren E, Carlsson P, Balmes O, Hellman A, Merte LR, Shipilin M, Onderwaater W, Gustafson J. Faceting of Rhodium(553) in Realistic Reaction Mixtures of Carbon Monoxide and Oxygen Journal of Physical Chemistry C. 119: 11646-11652. DOI: 10.1021/Acs.Jpcc.5B01841 |
0.395 |
|
| 2015 |
Hellman A, Iandolo B, Wickman B, Grönbeck H, Baltrusaitis J. Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles Surface Science. 640: 45-49. DOI: 10.1016/J.Susc.2015.03.022 |
0.584 |
|
| 2015 |
Nilsson V, Van Den Bossche M, Hellman A, Grönbeck H. Trends in adsorbate induced core level shifts Surface Science. 640: 59-64. DOI: 10.1016/J.Susc.2015.03.019 |
0.605 |
|
| 2014 |
Iandolo B, Hellman A. The role of surface States in the oxygen evolution reaction on hematite. Angewandte Chemie (International Ed. in English). 53: 13404-8. PMID 25283270 DOI: 10.1002/Anie.201406800 |
0.369 |
|
| 2014 |
Baran JD, Grönbeck H, Hellman A. Mechanism for limiting thickness of thin oxide films on aluminum. Physical Review Letters. 112: 146103. PMID 24765992 DOI: 10.1103/Physrevlett.112.146103 |
0.606 |
|
| 2014 |
Baran JD, Grönbeck H, Hellman A. Analysis of porphyrines as catalysts for electrochemical reduction of O2 and oxidation of H2O. Journal of the American Chemical Society. 136: 1320-6. PMID 24377877 DOI: 10.1021/Ja4060299 |
0.622 |
|
| 2014 |
Iandolo B, Wickman B, Seger B, Chorkendorff I, Zorić I, Hellman A. Faradaic efficiency of O2 evolution on metal nanoparticle sensitized hematite photoanodes. Physical Chemistry Chemical Physics : Pccp. 16: 1271-5. PMID 24297250 DOI: 10.1039/C3Cp54288B |
0.37 |
|
| 2014 |
Baltrusaitis J, Hu YS, McFarland EW, Hellman A. Photoelectrochemical hydrogen production on α-Fe2O3 (0001): insights from theory and experiments. Chemsuschem. 7: 162-71. PMID 24130006 DOI: 10.1002/Cssc.201300715 |
0.371 |
|
| 2014 |
Hellman A, Svensson K, Andersson S. Hydrogen-induced reconstruction of Cu(100): Two-dimensional and one-dimensional structures of surface hydride Journal of Physical Chemistry C. 118: 15773-15778. DOI: 10.1021/Jp5035147 |
0.355 |
|
| 2014 |
Martin NM, Van Den Bossche M, Hellman A, Grönbeck H, Hakanoglu C, Gustafson J, Blomberg S, Johansson N, Liu Z, Axnanda S, Weaver JF, Lundgren E. Intrinsic ligand effect governing the catalytic activity of Pd oxide thin films Acs Catalysis. 4: 3330-3334. DOI: 10.1021/Cs5010163 |
0.588 |
|
| 2014 |
Trinchero A, Hellman A, Grönbeck H. Metal-oxide sites for facile methane dissociation Physica Status Solidi-Rapid Research Letters. 8: 605-609. DOI: 10.1002/Pssr.201409090 |
0.636 |
|
| 2013 |
Paz-Borbón LO, Hellman A, Thomas JM, Grönbeck H. Efficient hydrogenation over single-site bimetallic RuSn clusters. Physical Chemistry Chemical Physics : Pccp. 15: 9694-700. PMID 23670610 DOI: 10.1039/C3Cp51384J |
0.58 |
|
| 2013 |
Iandolo B, Antosiewicz TJ, Hellman A, Zorić I. On the mechanism for nanoplasmonic enhancement of photon to electron conversion in nanoparticle sensitized hematite films. Physical Chemistry Chemical Physics : Pccp. 15: 4947-54. PMID 23439980 DOI: 10.1039/C3Cp44483J |
0.326 |
|
| 2013 |
Kannisto H, Arve K, Pingel T, Hellman A, Härelind H, Eränen K, Olsson E, Skoglundh M, Murzin DY. On the performance of Ag/Al2O3 as a HC-SCR catalyst – influence of silver loading, morphology and nature of the reductant Catalysis Science & Technology. 3: 644-653. DOI: 10.1039/C2Cy20594G |
0.347 |
|
| 2013 |
Trinchero A, Hellman A, Grönbeck H. Methane oxidation over Pd and Pt studied by DFT and kinetic modeling Surface Science. 616: 206-213. DOI: 10.1016/J.Susc.2013.06.014 |
0.594 |
|
| 2012 |
Hellman A, Resta A, Martin NM, Gustafson J, Trinchero A, Carlsson PA, Balmes O, Felici R, van Rijn R, Frenken JW, Andersen JN, Lundgren E, Grönbeck H. The Active Phase of Palladium during Methane Oxidation. The Journal of Physical Chemistry Letters. 3: 678-82. PMID 26286272 DOI: 10.1021/Jz300069S |
0.613 |
|
| 2012 |
Grönbeck H, Klacar S, Martin NM, Hellman A, Lundgren E, Andersen JN. Mechanism for reversed photoemission core-level shifts of oxidized Ag Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.115445 |
0.631 |
|
| 2012 |
Paz-Borbón LO, Hellman A, Grönbeck H. Simulated Photoemission Spectra of Hydroxylated MgO(100) at Elevated Temperatures Journal of Physical Chemistry C. 116: 3545-3551. DOI: 10.1021/Jp209336Q |
0.594 |
|
| 2011 |
Knudsen J, Martin NM, Grånäs E, Blomberg S, Gustafson J, Andersen JN, Lundgren E, Klacar S, Hellman A, Grönbeck H. Carbonate formation on p(4×4)-O/Ag(111) Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.115430 |
0.599 |
|
| 2011 |
Westerström R, Messing ME, Blomberg S, Hellman A, Grönbeck H, Gustafson J, Martin NM, Balmes O, Van Rijn R, Andersen JN, Deppert K, Bluhm H, Liu Z, Grass ME, Hävecker M, et al. Oxidation and reduction of Pd(100) and aerosol-deposited Pd nanoparticles Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.115440 |
0.581 |
|
| 2010 |
Honkala K, Hellman A, Grönbeck H. Water Dissociation on MgO/Ag(100): Support Induced Stabilization or Electron Pairing? Journal of Physical Chemistry C. 114: 7070-7075. DOI: 10.1021/Jp9116062 |
0.629 |
|
| 2010 |
Klacar S, Hellman A, Panas I, Grönbeck H. Oxidation of Small Silver Clusters: A Density Functional Theory Study Journal of Physical Chemistry C. 114: 12610-12617. DOI: 10.1021/Jp102715R |
0.63 |
|
| 2009 |
Hellman A, Klacar S, Grönbeck H. Low temperature CO oxidation over supported ultrathin MgO films. Journal of the American Chemical Society. 131: 16636-7. PMID 19919137 DOI: 10.1021/Ja906865F |
0.639 |
|
| 2009 |
Vojvodic A, Hellman A, Ruberto C, Lundqvist BI. From electronic structure to catalytic activity: a single descriptor for adsorption and reactivity on transition-metal carbides. Physical Review Letters. 103: 146103. PMID 19905584 DOI: 10.1103/Physrevlett.103.146103 |
0.413 |
|
| 2009 |
Hellman A, Grönbeck H. First-Principles Studies of NOx Chemistry on Agn/α-Al2O3 Journal of Physical Chemistry C. 113: 3674-3682. DOI: 10.1021/Jp8076563 |
0.622 |
|
| 2009 |
Hellman A, Honkala K, Remediakis IN, Logadóttir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles Surface Science. 603: 1731-1739. DOI: 10.1016/J.Susc.2008.10.059 |
0.377 |
|
| 2009 |
Hellman A. Initial adsorption of O2 on Si(100): Non-adiabaticity originating both from a discrete and a continuous set of electronic excitations Surface Science. 603: 173-177. DOI: 10.1016/J.Susc.2008.10.046 |
0.407 |
|
| 2009 |
Ingelsten HH, Hellman A, Kannisto H, Grönbeck H. Experimental and theoretical characterization of NOx species on Ag/α-Al2O3 Journal of Molecular Catalysis a-Chemical. 314: 102-109. DOI: 10.1016/J.Molcata.2009.08.022 |
0.597 |
|
| 2008 |
Hellman A, Grönbeck H. Activation of Al2O3 by a long-ranged chemical bond mechanism. Physical Review Letters. 100: 116801. PMID 18517809 DOI: 10.1103/Physrevlett.100.116801 |
0.638 |
|
| 2008 |
Hellman A, Panas I, Grönbeck H. NO(2) dissociation on Ag(111) revisited by theory. The Journal of Chemical Physics. 128: 104704. PMID 18345916 DOI: 10.1063/1.2832303 |
0.605 |
|
| 2008 |
Frondelius P, Hellman A, Honkala K, Häkkinen H, Grönbeck H. Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon Physical Review B. 78: 85426. DOI: 10.1103/Physrevb.78.085426 |
0.649 |
|
| 2007 |
Hellman A, Honkala K. Including lateral interactions into microkinetic models of catalytic reactions Journal of Chemical Physics. 127: 194704-194704. PMID 18035895 DOI: 10.1063/1.2790885 |
0.301 |
|
| 2007 |
Grönbeck H, Hellman A, Gavrin A. Structural, energetic, and vibrational properties of NO(x) adsorption on Ag(n), n = 1-8. The Journal of Physical Chemistry. A. 111: 6062-7. PMID 17579372 DOI: 10.1021/Jp071117D |
0.604 |
|
| 2006 |
Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, van Harrevelt R, Honkala K, Jonsson H, Kroes GJ, Luppi M, Manthe U, Nørskov JK, Olsen RA, et al. Predicting catalysis: understanding ammonia synthesis from first-principles calculations. The Journal of Physical Chemistry. B. 110: 17719-35. PMID 16956255 DOI: 10.1021/Jp056982H |
0.542 |
|
| 2006 |
Hellman A, Honkala K, Remediakis IN, Logadóttir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Insights into ammonia synthesis from first-principles Surface Science. 600: 4264-4268. DOI: 10.1016/J.Susc.2005.11.070 |
0.328 |
|
| 2005 |
Honkala K, Hellman A, Remediakis IN, Logadottir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Ammonia synthesis from first-principles calculations. Science (New York, N.Y.). 307: 555-8. PMID 15681379 DOI: 10.1126/Science.1106435 |
0.324 |
|
| 2005 |
Svensson K, Bellman J, Hellman A, Andersson S. Dipole active rotations of physisorbed H2 and D Physical Review B. 71: 245402. DOI: 10.1103/Physrevb.71.245402 |
0.31 |
|
| 2005 |
Hellman A, Razaznejad B, Lundqvist BI. Trends in sticking and adsorption of diatomic molecules on the Al(111) surface Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.205424 |
0.391 |
|
| 2004 |
Hellman A, Razaznejad B, Lundqvist BI. Potential--energy surfaces for excited states in extended systems. The Journal of Chemical Physics. 120: 4593-602. PMID 15267318 DOI: 10.1063/1.1645787 |
0.353 |
|
| 2003 |
Goncharova LV, Hinch BJ, Hellman A, Hassel M, Persson M. Hd J≠0 bound state resonances above the Cu (001) surface: The effects of physisorption anisotropy and the observation of anomalous Debye-Waller behavior at resonance conditions Physical Chemistry Chemical Physics. 5: 877-882. DOI: 10.1039/B208911D |
0.304 |
|
| 2003 |
Hellman A, Razaznejad B, Yourdshahyan Y, Ternow H, Zori? I, Lundqvist BI. Initial sticking of O2 modeled by nonadiabatic charge transfer Surface Science. 532: 126-131. DOI: 10.1016/S0039-6028(03)00111-0 |
0.368 |
|
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