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

缩合金属氟化物与多氟阴离子中氟特异性相互作用的理论研究（B06）

• 批准号: 414785977
• 金额: --
• 依托单位: Abteilung Physikalische und Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Collaborative Research Centres
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/414785977?language=en
• 关键词: Theoretical; Investigation; Fluorine; Specific; Interactions

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.

项目B6| Paulus，镍阳极表面在电场影响下的电化学反应（西蒙过程）的量子力学研究。在本研究过程中，阳极的镍原子将被其他金属部分取代（掺杂、合金化）。除了结构的变化，如相分离的氟化物，电子效应，影响在催化中使用的电化学电位也进行了研究。