THEORETICAL STUDIES OF SURFACE PROPERTIES OF REDUCIBLE OXIDES
WG4 members: Jan Rossmeissl, Michael Busch, Niels T. Bendtsen
The group’s activity aims to model electrochemical energy conversion at the atomic scale and investigate the catalytic properties of oxide surfaces. The influence of dopants and local structure is investigated. This includes interfaces between oxides and liquid or solid electrolytes. We are applying density functional theory to address the atomic structure of the interfaces.