Vanadium changes the local electron densities of InNNi3-xVx for highly efficient and selective electrocatalytic CO2 reduction to formate

doi:10.1016/j.jmst.2025.01.064

Abstract

Abstract: Electroreduction of CO₂ into beneficial products is integral to attaining carbon neutrality. Herein, we detail a series of anti-perovskite nitrides InNNi_3-_xV_x (x = 0, 0.2, 0.4, 0.6, 0.8) to be highly effective CO₂RR. The InNNi_2.4V_0.6 demonstrated exceptional conversion of CO₂ to formate, achieving an optimal Faraday efficiency (FE) of 93.6 % at -0.754 V versus RHE. It also exhibited a partial current density of 200 mA cm^-2 at -1.1 V versus RHE, along with remarkable stability in an H-type cell. Electrochemical tests, X-ray absorption fine structure, and theoretical calculations demonstrated that in addition to altering InNNi₃ electronic structure, V doping results in lattice distortion in NiN₃ octahedron, increasing the lattice spacing of InNNi_2.4V_0.6 (111) surface, exposing more active sites. This enhances its ability to adsorb the reaction intermediate *OCHO, thereby facilitating the conversion of CO₂ into formate. This research offers a viable approach for optimizing an electrocatalyst to convert CO₂ to valuable products.

Key words: Electrocatalysis, CO₂ reduction, Anti-perovskite, V doped InNNi₃

Yiguang Gai, Dong Tian, Zhishan Li, Guanghao Wang, Wenli Kang, Hua Wang, Kongzhai Li. Vanadium changes the local electron densities of InNNi_3-_xV_x for highly efficient and selective electrocatalytic CO₂ reduction to formate[J]. J. Mater. Sci. Technol., 2025, 234: 307-318.

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Vanadium changes the local electron densities of InNNi_3-_xV_x for highly efficient and selective electrocatalytic CO₂ reduction to formate

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