3d过渡金属单原子掺杂石墨烯缺陷电催化还原CO2的第一性原理研究
靳宇翔1(
), 宋二红2(), 朱永福1()
), 宋二红2(), 朱永福1()
First-principles Investigation of Single 3d Transition Metals Doping Graphene Vacancies for CO2 Electroreduction
JIN Yuxiang1(), SONG Erhong2(), ZHU Yongfu1()
), SONG Erhong2(), ZHU Yongfu1()
.
Fig. 3. Gibbs free energy profiles and the competitive reaction analysis
(a-c) Free energies of Sc@CSV (a), Sc@CDV (b) and Ti@CDV (c); (d) CO2RR vs HER for TM@C; Colorful figures are available on website
