Browsing by Author Neyman, Konstantin M.

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Issue DateTitleAuthor(s)
13-Jul-2016Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?Aleksandrov, Hristiyan A.; Neyman, Konstantin M.; Hadjiivanov, Konstantin I.; Vayssilov, Georgi N.
6-Aug-2021Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approachVega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M.
24-Jan-2021CO oxidation activity of Pt/CeO2 catalysts below 0ºC: Platinum loading effectsBoronin, A.I.; Slavinskaya, E.M.; Figueroba Sánchez, Alberto; Stadnichenko, A.I.; Kardash, T.Yu.; Stonkus, O.A.; Fedorova, E.A.; Muravev, V.V.; Svetlichnyi, V.A.; Bruix Fusté, Albert; Neyman, Konstantin M.
14-Jul-2017Density functional modelling of materials for fuel cell catalysts with reduced content of critical componentsFigueroba Sánchez, Alberto
16-Nov-2016Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surfaceKozlov, Sergey; Neyman, Konstantin M.
2004Electronic structure and screening dynamics of ethene on single domain Si(001) from resonant inelastic X-ray scattering.Fhlisch, A.; Hennies, F.; Wurth, W.; Witkowski, N.; Nagasono, M.; Piancastelli, M. N.; Moskaleva, L. V.; Neyman, Konstantin M.; Rösch, Notker
6-Feb-2015Energetic stability of absorbed H in Pd and Pt nanoparticles in a more realistic environmentKozlov, Sergey; Aleksandrov, Hristiyan A.; Neyman, Konstantin M.
2007First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameterLoschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc
2-Apr-2015How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculationsKozlov, Sergey; Kovács, Gábor; Ferrando, Riccardo; Neyman, Konstantin M.
23-Aug-2022Metal-support interaction and charge distribution in ceria-supported Au particles exposed to COBezkrovnyi, O.; Bruix Fusté, Albert; Blaumeiser, D.; Piliai, L.; Schötz, S.; Bauer, T.; Khalakhan, I.; Skála, T.; Matvija, P.; Kraszkiewicz, P.; Pawlyta, M.; Vorokhta, M.; Matolínová, I.; Libuda, J.; Neyman, Konstantin M.; Kępiński, L.
11-Mar-2022Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.Vega Dominguez, Lorena; García Cardona, Julia; Viñes Solana, Francesc; Cabot Julià, Pere-Lluís; Neyman, Konstantin M.
7-Jan-2015O2 dissociation on M@Pt core-shell particles for 3d, 4d and 5d transition metalsJennings, Paul C.; Aleksandrov, Hristiyan A.; Neyman, Konstantin M.; Johnston, Roy L.
26-Sep-2019Optical properties and chemical ordering of Ag-Pt nanoalloys: a computational studyOlobardi, Sofia; Fortunelli, Alessandro; Stener, Mauro; Viñes Solana, Francesc; Vega Dominguez, Lorena; Neyman, Konstantin M.
2-Jun-2017Oxide-based nanomaterials for fuel cell catalysis: the interplay between supported Pt atoms and particlesLykhach, Yaroslava; Bruix Fusté, Albert; Fabris, Stefano; Potin, Valérie; Matolínová, Iva; Matolín, Vladimír; Libuda, Jörg; Neyman, Konstantin M.
7-Jan-2021Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositionsMamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M.
7-Jan-2021Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositionsMamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M.
12-Mar-2019Pt/CeO2 and Pt/CeSnOx catalysts for low-temperature CO oxidation prepared by plasma-arc techniqueKardash, Tatyana Y.; Derevyannikova, Elizaveta; Slavinskaya, Elena M.; Stadnichenko, Andrey I.; Maltsev, Vasiliy A.; Zaikovskii, Alexey V.; Novopashin, Sergey A.; Boronin, Andrei I.; Neyman, Konstantin M.
2022Quantifying interactions on interfaces between metal partic¬les and oxide supports in catalytic nanomaterialsNeyman, Konstantin M.; Kozlov, Sergey
2-Feb-2015Reduced ceria nanofilms from structure predictionKozlov, Sergey; Demiroglu, Ilker; Neyman, Konstantin M.; Bromley, Stefan Thomas
2022Stability of oxidized states of free-standing and ceria-supported PtOx particlesQuinlivan Domínguez, Jon E.; Neyman, Konstantin M.; Bruix, Albert