Neyman, Konstantin M
Research Professor
Experimental Sciences & Mathematics
Institucio Catalana de Recerca i Estudis Avancats
Spain
Biography
Konstantin Neyman is ICREA Professor at the Department de Ciència dels Materials i Química Física and the Institut de Química Teòrica i Computacional, Universitat de Barcelona, leading the group Reactivity of Nanostructures. He obtained his PhD in Chemistry from the Inst. of Inorganic Chemistry in Novosibirsk and completed his Habilitation and Venia Legendi in Theoretical Chemistry at the Technische Universität München. He published a book, 10 reviews, over 180 articles in referred journals and has made ~300 presentations at conferences and in universities, ~110 of them as invited lectures. His publications were cited >6400 times, h-index = 47 (since 1991). Before joining ICREA, Konstantin Neyman held positions as a senior research associate in Germany: at the TU München, Ludwig-Maximilian Universität München and Fritz-Haber-Institut (Berlin) of the Max-Planck Society. He has contributed to the attraction of funds for more than 40 research projects.
Research Interest
His research group deals with modelling of advanced, in particular, nanostructured inorganic materials important for catalysis, hydrogen technology, energy storage and related applications. A general aim is to understand at the atomic level, by carrying out large-scale quantum mechanical computer calculations, how the structure and composition of a material are related with its function in a given chemical process. It is often hardly possible to obtain this information experimentally. Yet, its absence drastically hinders creation of materials with desired improved properties.
Publications
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H.A. Aleksandrov, S.M. Kozlov, G.N. Vayssilov, K.M. Neyman. Approaching complexity of alkyl hydrogenation on Pd by density functional modelling. - Phys. Chem. Chem. Phys. 19 (2017) 21514-21521.
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A. Figueroba, A. Bruix, G. Kovács, K.M. Neyman. Metal-doped ceria nanoparticles: Stability and redox processes. - Phys. Chem. Chem. Phys. 19 (2017) 21729-21738.
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O. Brummel, F. Waidhas, I. Khalakhan, M. Vorokhta, G. Kovács, H.A. Aleksandrov, K.M. Neyman, V. MatolÃn, J. Libuda. Structural transformations and adsorption properties of PtNi nanoalloy thin film electrocatalysts prepared by magnetron co-sputtering.-Electrochim. Acta 251 (2017) 427-441.