金属掺杂SnO2电化学还原CO2制甲酸的计算研究
A computational study of electrochemical CO2 reduction to formic acid on metal-doped SnO2
金属掺杂SnO2电化学还原CO2制甲酸的计算研究 |
| 刘赵春, 宗雪, Dionisios G. Vlachos, Ivo A. W. Filot, Emiel J. M. Hensen |
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A computational study of electrochemical CO2 reduction to formic acid on metal-doped SnO2 |
| Zhaochun Liu, Xue Zong, Dionisios G. Vlachos, Ivo A. W. Filot, Emiel J. M. Hensen |
| Fig. 10. Heatmap of the TOF as a function of ΔG*COOH ? ΔG*CO2 and ΔG*HCOOH ? ΔG*COOH adsorption energies for electrocatalytic CO2RR on metal doped SnO2?x(OH)4 surface based on DFT-based microkinetic simulations at ?0.2 V vs. RHE. Reaction conditions are T = 300 K on a rotating disc electrode at 100 r/min and a bulk pH of 6.8. |
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