Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles GN Vayssilov, Y Lykhach, A Migani, T Staudt, GP Petrova, N Tsud, ...
Nature materials 10 (4), 310-315, 2011
928 2011 First-principles C Loschen, J Carrasco, KM Neyman, F Illas
Physical Review B—Condensed Matter and Materials Physics 75 (3), 035115, 2007
805 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
599 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
481 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
385 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
337 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
309 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
230 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
210 2010 Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO (001) surface AV Matveev, KM Neyman, IV Yudanov, N Rösch
Surface science 426 (1), 123-139, 1999
202 1999 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
183 2018 CH3 O 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
175 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
175 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
170 2002 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
163 2010 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
161 2008 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
157 2007 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
156 2016 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
154 2011 Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO (001) VA Nasluzov, VV Rivanenkov, AB Gordienko, KM Neyman, U Birkenheuer, ...
The Journal of Chemical Physics 115 (17), 8157-8171, 2001
153 2001