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Konstantin Neyman
Konstantin Neyman
ICREA and Universitat de Barcelona
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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
8662011
First-principles and study of cerium oxides: Dependence on the effective U parameter
C Loschen, J Carrasco, KM Neyman, F Illas
Physical Review B 75 (3), 035115, 2007
7762007
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
5102016
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
4542014
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
3452011
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
3222003
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
3091997
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
2192010
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
2032010
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
2001999
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
1722004
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
1682002
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
1642018
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
1602003
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
1592010
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
1542008
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
1532007
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
1502001
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
1432011
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
1312016
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