Browsing by Author Neyman, Konstantin M.
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Issue Date | Title | Author(s) |
---|---|---|
16-Jan-2015 | A Study of Nanostructuring Effects on Model Heterogeneous Catalysts | Kozlov, Sergey |
15-Nov-2021 | Adsorption and oxidation of CO on ceria nanoparticles exposing single-atom Pd and Ag: A DFT modelling | Nasluzov, Vladimir A.; Ivanova Shor, Elena A.; Shor, Aleksey M.; Laletina, Svetlana A.; Neyman, Konstantin M. |
21-Dec-2021 | Advanced Modelling of Metallic Nanomaterials for Catalysis | Vega Domínguez, Lorena |
2021 | AgPd, AuPd, and AuPt nanoalloys with Ag- or Au-rich compositions: Modeling chemical ordering and optical properties | Danielis, Nicola; Vega Dominguez, Lorena; Fronzoni, Giovanna; Stener, Mauro; Bruix, Albert; Neyman, Konstantin M. |
13-Jul-2016 | Can 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-2021 | Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approach | Vega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M. |
24-Jan-2021 | CO oxidation activity of Pt/CeO2 catalysts below 0ºC: Platinum loading effects | Boronin, 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-2017 | Density functional modelling of materials for fuel cell catalysts with reduced content of critical components | Figueroba Sánchez, Alberto |
16-Nov-2016 | Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surface | Kozlov, Sergey; Neyman, Konstantin M. |
2004 | Electronic 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-2015 | Energetic stability of absorbed H in Pd and Pt nanoparticles in a more realistic environment | Kozlov, Sergey; Aleksandrov, Hristiyan A.; Neyman, Konstantin M. |
2007 | First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameter | Loschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc |
2-Apr-2015 | How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculations | Kozlov, Sergey; Kovács, Gábor; Ferrando, Riccardo; Neyman, Konstantin M. |
23-Aug-2022 | Metal-support interaction and charge distribution in ceria-supported Au particles exposed to CO | Bezkrovnyi, 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-2022 | Nanostructuring 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-2015 | O2 dissociation on M@Pt core-shell particles for 3d, 4d and 5d transition metals | Jennings, Paul C.; Aleksandrov, Hristiyan A.; Neyman, Konstantin M.; Johnston, Roy L. |
26-Sep-2019 | Optical properties and chemical ordering of Ag-Pt nanoalloys: a computational study | Olobardi, Sofia; Fortunelli, Alessandro; Stener, Mauro; Viñes Solana, Francesc; Vega Dominguez, Lorena; Neyman, Konstantin M. |
2-Jun-2017 | Oxide-based nanomaterials for fuel cell catalysis: the interplay between supported Pt atoms and particles | Lykhach, Yaroslava; Bruix Fusté, Albert; Fabris, Stefano; Potin, Valérie; Matolínová, Iva; Matolín, Vladimír; Libuda, Jörg; Neyman, Konstantin M. |
7-Jan-2021 | Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositions | Mamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M. |
7-Jan-2021 | Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositions | Mamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M. |