基于V2C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

材料导报

2024, Vol. 38

Issue (10): 23030161-7 https://doi.org/10.11896/cldb.23030161

无机非金属及其复合材料

基于V₂C催化剂的混合电解质锂空气电池催化机理研究

生健平, 喻明富, 李洁, 孙红^*

沈阳建筑大学机械工程学院,沈阳 110168

Study on Catalytic Mechanism of Hybrid Electrolyte Lithium-Air Battery Based on V₂C Catalyst

SHENG Jianping, YU Mingfu, LI Jie, SUN Hong^*

School of Mechanical Engineering, Shenyang Jianzhu University, Shenyang 110168, China

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摘要氧还原反应(ORR)和析氧反应(OER)催化活性的提高可以显著提高混合电解质锂空气电池的性能。二维材料V₂C(MXenes)具有丰富的组成、高比表面积和强稳定性等特点,受到广泛关注。本工作基于密度泛函理论(DFT)的第一性原理方法,研究了V₂C的电子性质、碱性条件下氧气在V₂C表面的最佳吸附位点和氧气在V₂C表面的氧化还原过程,计算了V₂C的自由能和过电势,最后将其与混合电解质锂空气电池常用的MnO₂催化剂进行了比较。结果表明,V₂C作为混合电解质锂空气电池催化剂时,比常用的MnO₂催化剂的过电势更小,说明该催化剂可以提高电极的催化性能,是一种前景良好的ORR和OER双功能催化剂。

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	孙红

关键词: 混合电解质锂空气电池碳化钒第一性原理氧气吸附氧还原反应

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)

出版日期: 2024-05-25 发布日期: 2024-05-28

ZTFLH:

O485

基金资助: 国家自然科学基金 (51176131; 51906166);辽宁省“兴辽英才计划” (XLYC1802045);辽宁省教育厅项目(lnqn202007)

通讯作者: *孙红,沈阳建筑大学机械工程学院教授、博士研究生导师。1992年7月沈阳建筑工程学院机械设计专业本科毕业后到沈阳建筑大学(原沈阳建筑工程学院)工作至今,1998年3月沈阳建筑工程学院固体力学专业硕士毕业;2005年12月西安交通大学动力工程及工程热物理专业博士毕业。目前主要从事燃料电池、锂空气电池和全钒液流电池电极材料研究。发表论文200余篇,包括Journal of Power Sources、ACS Applied Materials & Interfaces、Applied Energy、International Journal of Hydrogen Energy、Journal of the Electrochemical、Electrochimica Acta、Energy等。sunhongwxh@sina.com

作者简介: 生健平,2021年6月毕业于河北工程大学,获得工学学士学位。现为沈阳建筑大学机械工程学院硕士研究生,在孙红教授的指导下进行研究。目前主要研究领域为混合电解质锂空气电池。

引用本文:

生健平, 喻明富, 李洁, 孙红. 基于V₂C催化剂的混合电解质锂空气电池催化机理研究[J]. 材料导报, 2024, 38(10): 23030161-7.
SHENG Jianping, YU Mingfu, LI Jie, SUN Hong. Study on Catalytic Mechanism of Hybrid Electrolyte Lithium-Air Battery Based on V₂C Catalyst. Materials Reports, 2024, 38(10): 23030161-7.

链接本文:

http://www.mater-rep.com/CN/10.11896/cldb.23030161 或 http://www.mater-rep.com/CN/Y2024/V38/I10/23030161

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