Konstantin M. Neyman

Universitat de Barcelona

Experimental Sciences & Mathematics

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 (Venia Legendi) in Theoretical Chemistry at the Technische Universität München. He published a book, 10 reviews, over 180 articles in referred journals and made 330 presentations at conferences and in universities, 125 of which as keynote and invited lectures. His publications were cited over 7300 times, h-index = 48 since 1991. Before joining ICREA, Dr. 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

- Suchorski Y, Kozlov SM, Bespalov I, Datler M, Vogel D, Budinska Z, Neyman KM & Rupprechter G 2018, 'The role of metal/oxide interfaces for long-range metal particle activation during CO oxidation', Nature Materials, vol. 17, pp 519-522.

- Aleksandrov HA, Koleva IZ, Neyman KM, Tabakova T & Vayssilov GN 2018, 'Structure and reducibility of doped by yttrium cerium dioxide nanoparticles and (111) surface', RSC Advances, vol. 8, pp 33728-33741.

- Lykhach Y, Brummel O, Bruix A, Fabris S, Matolínová I, Matolín V, Neyman KM & Libuda J 2018, 'Pt-CeO2 catalysts for fuel cell applications: From surface science to electrochemistry', In Encyclopedia of Interfacial Chemistry - Surface Science and Electrochemistry, K. Wandelt (Ed.), 1st edn, Elsevier, pp 189-201.

Selected research activities

- 9 invited talks at International Conferences and Universities including: CECAM Workshop “Modeling metal-based nanoparticles: Environment and dynamical effects” (Grenoble, FR); Seminar at the Catalysis Research Center, TU München (Garching, DE); International Workshop “Advanced Materials” (Duni, BG); International IUVSTA-ASEVA Workshop WS-86-ASEVA-28 “Physics and chemistry of nanoscale oxide systems” (Ávila, ES); 2nd International Symposium on Single-Atom Catalysis (Beijing, CN); 3 seminars at the Boreskov Institute of Catalysis & the Institute of Inorganic Chemistry, Russian Academy of Sciences (Novosibirsk, RU).

- Sabbatical research stay (5.5 month) with a "Salvador de Madariaga" grant at the Boreskov Instutute of Catalysis, Russian Academy of Sciences (Novosibirsk).

- Scientific Committee member: 
5th International School-Conference "Catalyst Design: From Molecular to Industrial Level" (Moscow, RU);
3rd International Conference “Fundamentals and applications of cerium dioxide in catalysis” (Barcelona, ES).

- Symposium co-organizer - “Nano-alloys: Theory, Synthesis & Characterization”, XXVII International Materials Research Congress (Cancún, MX).