Konstantin M. Neyman

Universitat de Barcelona (UB)

Experimental Sciences & Mathematics

Prof. Dr. Konstantin Neyman is ICREA Professor at the Department de Ciència de 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, ca. 170 articles in referred journals and has made ~280 presentations at conferences and in universities, ~100 of them as invited lectures. His publications were cited ~6000 times, h-index = 45 (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 interests

My 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.

Selected publications

– Lykhach Y, Kozlov SM, Skála T, Tovt A, Stetsovych V, Tsud N, Dvořák F, Johánek V, Neitzel A, Mysliveček J, Fabris S, Matolín V, Neyman KM* & Libuda J* 2016, ‘Counting electrons on supported nanoparticles’, Nature Materials, vol. 15, pp 284-288.

– Vorokhta M, Neyman KM, Matolín V et al. 2016, ‘Surface composition of magnetron sputtered Pt-Co thin film catalyst for proton exchange membrane fuel cells’ Appl. Surf. Sci., vol. 365, pp 245-251.

– Kozlov SM & Neyman KM 2016, ‘Insights from methane decomposition on nanostructured palladium’, Journal of Catalysis, vol. 337, pp 111-121.

– Fiala R, Figueroba A, Neyman KM, Matolin V et al. 2016 ‘High efficiency Pt2+-CeOx novel thin film catalyst as anode for proton exchange membrane fuel cells’, Appl. Catal. B: Environ., vol. 197, pp 262-270.

– Lykhach Y, Figueroba A, Neyman KM, Matolín V, Libuda J et al. J 2016, ‘Reactivity of atomically dispersed Pt2+ species towards H2: Model Pt-CeO2 fuel cell catalyst’, Physical Chemistry Chemical Physics, vol. 18, pp 7672-7679.

– Figueroba A, Kovács G, A. Bruix A & Neyman KM 2016, ‘Towards stable single-atom catalysts: Strong binding of atomically dispersed transition metals on the surface of nanostructured ceria’, Catalysis Science & Technology, vol. 6, pp 6806-6813.

– Neitzel A, Figueroba A, Neyman KM, Matolín V, Libuda J et al. 2016, ‘Atomically dispersed Pd, Ni and Pt species in ceria-based catalysts: Principal differences in stability and reactivity’, J. Phys. Chem. C, vol. 120, no. 18, pp 9852-9862.

– Bruix A & Neyman KM 2016, ‘Modeling ceria-based nanomaterials for catalysis and related applications’, Catalysis Letters, vol. 146, pp 2053-2080.

– Kozlov SM & Neyman KM 2016 ‘Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surface’, Journal of Catalysis, vol. 344, pp 507-514.

Selected research activities

Overall, 12 ISI journal articles, 8 invited or keynote lectures at established conferences (UK, PL, RU, ES, BG, DE, CN) and 2 invited lectures at universities (PL, DE).