ICREA Professor Konstantin Neyman presented his results on modeling catalytic nanomaterials

On April 11, the conference hall of Boreskov Institute of Catalysis hosted the second seminar of the Department of physicochemical methods of research by ICREA professor Konstantin Neyman who has been invited from Spain by the Institute for six months. This time he made a presentation “Modeling catalytic nanomaterials – as simple as possible, but not simpler”.

The talk was about various nano-scale size-dependent effects for metallic and oxide catalysts obtained by means of the DFT plane-wave approach. In particular, for the dehydrogenation of methane the reactivity of low-index surface of bulk metal is substantially lower than that in case of nanoparticle of the same metal. Strong size effect is predicted for cerium oxide nanoparticles for which the oxygen vacancy energy achieves minimum for the Ce₈₀O₁₆₀ particle having a size of about 2 nm. Particles of platinum and other transition-state metals experience dispersion on the CeO2 support.

Konstantin Neyman’s talk aroused great interest and numerous questions of the audience.

Graduated from the Department of Natural Sciences in Novosibirsk State University in 1978, Professor Konstantin Neyman is a well-known scientist. Since 1991 he works in the prestigious universities of Europe and the world. At this moment Professor Neyman heads a group in Barcelona University.

The scientist’s research interests are in the field of quantum-chemical modeling of structure and reactivity of metal (Pd, Pt, nanoalloys), metal-oxide (e.g., CeO₂) nanoparticles and composite nanomaterials for catalysis and technologies of sustainable energy.

Professor Konstantin Neyman has authored more than 180 papers in the peer-reviewed journals, his Hirsch number is 48. More detailed information about his results can be found on ICREA website.