Konstantin Neyman

Konstantin Neyman

Universitat de Barcelona

Experimental Sciences & Mathematics

Konstantin Neyman is ICREA Professor at Dept. de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional, Universitat de Barcelona, leading Reactivity of Nanostructures group. He obtained PhD from Inorganic Chemistry Institute in Novosibirsk and completed Habilitation (Venia Legendi) in Theoretical Chemistry at TU München. He published a book, 9 book chapters, 204 research articles and made several hundred conference and university presentations, including 154 invited lectures. His publications were cited 12000 times in WoS, H=59 & 14000 times in GoogleScholar, H=66. Before joining ICREA, Dr. Neyman held research positions in Germany at TU München, LMU München and Fritz-Haber-Institut (Berlin). He contributed to funding 45 research projects. Recent awards: Nanyang TU Invited Visiting Professor (SG), Chalmers Jubilee Professor (SE), Uppsala Uni. Visiting Professor (SE), Uni. Erlangen-Nuremberg Invited Scientist (DE), TU Vienna Visiting Professor (AT).

Research interests

The research group Reactivity of Nanostructures of Dr. Neyman at the Universitat de Barcelona deals with computational 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 knowledge-driven creation of materials with desired improved properties.

Selected publications

- Xie X, Briega-Martos V, Farris R, Dopita M, Vorokhta M, Skála T, Matolínová I, Neyman KM, Cherevko S & Khalakhan I 2023, 'Optimal Pt-Au alloying for efficient and stable oxygen reduction reaction catalyst', ACS Applied Materials & Interfaces, 15, 1, 1192-1200

- Slavinskaya EM, Stadnichenko AI, Quinlivan Domínguez JE, Stonkus OA, Vorokhta M, Smid B, Castro-Latorre P, Bruix A, Neyman KM & Boronin AI 2023, 'States of Pt/CeO2 catalysts for CO oxidation below room temperature', Journal of Catalysis, 421, 285-299.

- Castro-Latorre P, Neyman KM & Bruix A 2023, 'Systematic Characterization of Electronic Metal-Support Interactions in Ceria-Supported Pt Particles', Journal Of Physical Chemistry C, 127, 36, 17700-17710.

- Zerbato E, Farris R, Fronzoni G, Neyman KM, Stener M & Bruix A 2023, 'Effects of oxygen adsorption on optical properties of Ag nanoparticles', Journal of Physical Chemistry A, 127, 49, 10412-10424.

Selected research activities

Invited talks
COST Action 18234 conference 'Designing the Future: Electro-, Photo- and Thermo-chemical Water Splitting', Brussels (BE) February;
Webinar of the journal 'Metals', May; CLINT-Collaborative Research Center 1452 'Catalysis at Liquid Interfaces', Erlangen (DE) April;
Technische Universität München, Garching (DE) April;
Intern. workshop 'Fundamental Principles of Catalysis', on-line talk (RU) November
Contributed talks
Intern. Meeting on Nanoalloys, Orleans (FR) May;
COST Action 18234 conference, Haifa (IL) July;
Intern. Workshop 'Metal-Oxide Ultrathin Films and Nanostructures', Zaragoza (ES) July
María de Maeztu Excellence CEX2021-001202-M for Inst. de Quimica Teòrica i Computacional, Uni. Barcelona 2023-2026, area leader
Computational modelling of complex materials for advanced technologies, MCIUN grant PID2021-128217NB-I00 (2022-2025), co-PI
Intern. project EXTREME with Uni. Sofia (BG) & ETH Zürich (CH) 2021-2024, PI Uni. Barcelona & Steering Committee chairman