Concepedia

The intrinsic activity descriptor of TM-N<sub>3</sub>-C single-atom catalysts for electrochemical CO<sub>2</sub> reduction: a DFT study

Linmeng Wang, Zhiyuan Liu, Rushuo Li, Hongyi Gao, Ping Yang, Wei Wang, Xiangdong Xue, Shihao Feng, Lingjing Yu, Ge Wang

Journal of Materials Chemistry A · 2023 · 15 citations · 75 references

DOI

Concepts

Abstract

The volcano-shaped physical curve is established between the intrinsic descriptor Ψ and the performance for electrocatalytic CO 2 conversion to CH 4 , and Ru-II, Rh-II, and Pd-II as the promising SACs distribute close to the summit of the volcano curve.

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