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First-principles and study of cerium oxides: Dependence on the effective U parameter C Loschen, J Carrasco, KM Neyman, F Illas Physical Review B—Condensed Matter and Materials Physics 75 (3), 035115, 2007 | 798 | 2007 |
Counting electrons on supported nanoparticles Y Lykhach, SM Kozlov, T Skála, A Tovt, V Stetsovych, N Tsud, F Dvořák, ... Nature materials 15 (3), 284-288, 2016 | 543 | 2016 |
Maximum noble‐metal efficiency in catalytic materials: atomically dispersed surface platinum A Bruix, Y Lykhach, I Matolínová, A Neitzel, T Skála, N Tsud, M Vorokhta, ... Angewandte Chemie International Edition 53 (39), 10525-10530, 2014 | 468 | 2014 |
Reassignment of the vibrational spectra of carbonates, formates, and related surface species on ceria: a combined density functional and infrared spectroscopy investigation GN Vayssilov, M Mihaylov, PS Petkov, KI Hadjiivanov, KM Neyman The Journal of Physical Chemistry C 115 (47), 23435-23454, 2011 | 365 | 2011 |
CO adsorption on Pd nanoparticles: Density functional and vibrational spectroscopy studies IV Yudanov, R Sahnoun, KM Neyman, N Rösch, J Hoffmann, ... The Journal of Physical Chemistry B 107 (1), 255-264, 2003 | 328 | 2003 |
Systematic density functional study of the adsorption of transition metal atoms on the MgO (001) surface I Yudanov, G Pacchioni, K Neyman, N Rösch The Journal of Physical Chemistry B 101 (15), 2786-2792, 1997 | 313 | 1997 |
Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Journal of Materials Chemistry 20 (46), 10535-10546, 2010 | 225 | 2010 |
Greatly facilitated oxygen vacancy formation in ceria nanocrystallites A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Chemical Communications 46 (32), 5936-5938, 2010 | 208 | 2010 |
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CH3O Decomposition on PdZn(111), Pd(111), and Cu(111). A Theoretical Study ZX Chen, KM Neyman, KH Lim, N Rösch Langmuir 20 (19), 8068-8077, 2004 | 173 | 2004 |
Surface structure and stability of PdZn and PtZn alloys: Density-functional slab model studies ZX Chen, KM Neyman, AB Gordienko, N Rösch Physical Review B 68 (7), 075417, 2003 | 171 | 2003 |
Metal nanoparticles as models of single crystal surfaces and supported catalysts: Density functional study of size effects for CO/Pd (111) IV Yudanov, R Sahnoun, KM Neyman, N Rösch The Journal of chemical physics 117 (21), 9887-9896, 2002 | 171 | 2002 |
The role of metal/oxide interfaces for long-range metal particle activation during CO oxidation Y Suchorski, SM Kozlov, I Bespalov, M Datler, D Vogel, Z Budinska, ... Nature materials 17 (6), 519-522, 2018 | 168 | 2018 |
Density functional studies of model cerium oxide nanoparticles C Loschen, A Migani, ST Bromley, F Illas, KM Neyman Physical Chemistry Chemical Physics 10 (37), 5730-5738, 2008 | 163 | 2008 |
Methane activation by platinum: Critical role of edge and corner sites of metal nanoparticles F Viñes, Y Lykhach, T Staudt, MPA Lorenz, C Papp, HP Steinrück, ... Chemistry–A European Journal 16 (22), 6530-6539, 2010 | 157 | 2010 |
On the promoting role of Ag in selective hydrogenation reactions over Pd− Ag bimetallic catalysts: A theoretical study S Gonzalez, KM Neyman, S Shaikhutdinov, HJ Freund, F Illas The Journal of Physical Chemistry C 111 (18), 6852-6856, 2007 | 156 | 2007 |
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Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold LV Moskaleva, S Röhe, A Wittstock, V Zielasek, T Klüner, KM Neyman, ... Physical Chemistry Chemical Physics 13 (10), 4529-4539, 2011 | 146 | 2011 |
Can the state of platinum species be unambiguously determined by the stretching frequency of an adsorbed CO probe molecule? HA Aleksandrov, KM Neyman, KI Hadjiivanov, GN Vayssilov Physical Chemistry Chemical Physics 18 (32), 22108-22121, 2016 | 145 | 2016 |