CO2 Reduction Reaction to Create CH4 and CH3OH on Chromium Doped Silicon, Carbon and Boron Nitride (2Cr-Si76, 2Cr-C76 and 2Cr-B38N38)

: Here, the pathways for CO2 reduction reaction to create CH4 and CH3OH on Si76, C76 and B38N38 as catalysts are investigated. The effects of adsorption of Cr on capacities of Si76, C76 and B38N38 for CO2-RR are examined. Results shown that the over-potential of CO2-RR on 2Cr-Si76, 2Cr-C76 and 2Cr-B38N38 are lower than Fe, Ni and Co single atom as catalysts, Cu, Au, Ag based bimetallic catalysts and Pt and Pd as metal catalysts in previous works. The ΔGreaction of possible reaction steps of CO2 reduction on 2Cr-Si76 and 2Cr-B38N38 nanocages are more negative than 2Cr-C76 nanocage. The over-potential for production of CH4 and CH3OH are lower than creation of HCOOH and HCHO on 2Cr-Si76, 2Cr-C76 and 2Cr-B38N38 nanocages. The over-potential for CO, HCOOH, HCHO, CH3OH and CH4 production on 2Cr-B38N38 nanocage is 0.34, 0.27, 0.31, 0.24 and 0.22 V. The 2Cr-Si76 and 2Cr-B38N38 are catalyzed the reaction steps of CO2-RR by three pathways and high performance.

Huaying Gao, Xinxin Li and Chun Xiang