CO reduction reaction on Sc-doped nanocages as catalysts.

Context: The catalytic ability of Sc-doped C and Sc-doped AlP as catalysts of CO-RR to create the CH and CHOH is investigated. The mechanisms of CO-RR are examined by theoretical methods and ΔG of reaction steps of CO-RR mechanisms are calculated. The overpotential of CH and CHOH production on Sc-doped C and Sc-doped AlP is calculated.