38 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.88
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  0.88
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  0.88
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  0.88
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  0.32
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  0.68
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  0.68
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  0.68
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  0.88
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  0.32
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  0.68
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  0.68
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  0.68
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  0.68
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  0.68
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  0.68
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  0.68
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  0.68
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  0.88
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  0.68
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  0.88
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  0.68
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  0.68
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  0.88
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  0.68
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  0.68
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  0.88
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  0.88
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  0.88
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. DOI: 10.1103/PhysRevLett.103.146103  0.68
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  0.88
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  0.68
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  0.88
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  0.88
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  0.88
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  0.88
2008 Lundqvist BI, Hellman A, Zori? I. Chapter 10 Electron Transfer and Nonadiabaticity Handbook of Surface Science. 3: 429-524. DOI: 10.1016/S1573-4331(08)00010-3  0.68
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  0.88
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