基于V<sub>2</sub>C催化剂的混合电解质锂空气电池催化机理研究

doi:10.11896/cldb.23030161

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Abstract The improved catalytic activity of oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) can significantly improve the performance of hybrid electrolyte lithium-air batteries. The two-dimensional material V₂C (MXenes) has attracted much attention due to its rich composition, high specific surface area, and strong stability. Based on the first principles approach of density functional theory (DFT), this work investigated the electronic properties of V₂C, the optimal adsorption sites of oxygen on the V₂C surface under alkaline conditions, and the redox process of oxygen on the V₂C surface, calculated the free energy and overpotential, and finally compared it with the MnO₂ catalyst commonly used in hybrid electrolyte lithium-air batteries. The results showed that V₂C has a lower overpotential than the commonly used MnO₂ catalyst when used as a catalyst for hybrid electrolyte Li-air batteries, indicated that the catalyst can improve the catalytic performance of the electrode and was a promising bifunctional catalyst for ORR and OER.

Key words： hybrid electrolyte lithium-air battery V₂C the first-principles oxygen adsorption oxygen reduction reaction (ORR)

Published: 25 May 2024 Online: 2024-05-28

CLC number:

O485

Fund:National Natural Science Foundation of China (51176131,51906166), Liaoning Revitalization Talents Program (XLYC1802045), Liaoning Provincial Education Department Project (lnqn202007).

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	SHENG Jianping
	YU Mingfu
	LI Jie
	SUN Hong

Cite this article:

SHENG Jianping,YU Mingfu,LI Jie, et al. Study on Catalytic Mechanism of Hybrid Electrolyte Lithium-Air Battery Based on V₂C Catalyst[J]. Materials Reports, 2024, 38(10): 23030161-7.

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http://www.mater-rep.com/EN/10.11896/cldb.23030161 OR http://www.mater-rep.com/EN/Y2024/V38/I10/23030161

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