Theoretical Investigation of Fluorine-Specific Interactions in Condensed Metal Fluorides and Polyfluorine Anions (B06)

在B6|Paulus计划中，用量子力学方法研究了电场(Simon‘s过程)影响下氟化反应中镍阳极的表面。在本研究过程中，阳极上的镍原子将被其他金属(掺杂、合金化)部分取代。除了结构变化，例如氟化物中的相分离，还研究了影响催化中使用的电化学势的电子效应。

In project B6|Paulus, the surface of the nickel anode in fluorination reactions under the influence of an electric field (Simon's process) is investigated quantum mechanically. In the course of this study, nickel atoms at the anode will be partially replaced by other metals (doping, alloying). In addition to structural changes, e.g. phase separation in the fluorides, electronic effects that influence the electrochemical potential used in the catalysis are also investigated.