Metal-organic frameworks-derived MCo2O4 (M = Zn, Ni, Cu) two-dimensional nanosheets as anodes materials to boost lithium storage

Yun Guo; Mianying Huang; Hua Zhong; Zhaohui Xu; Quanyi Ye; Jiating Huang; Guozheng Ma; Zhiguang Xu; Akif Zeb; Xiaoming Lin

doi:10.1016/j.jcis.2023.07.099

Metal-organic frameworks-derived MCo₂O₄ (M = Zn, Ni, Cu) two-dimensional nanosheets as anodes materials to boost lithium storage

J Colloid Interface Sci. 2023 Nov 15;650(Pt B):1638-1647. doi: 10.1016/j.jcis.2023.07.099. Epub 2023 Jul 17.

Authors

Yun Guo¹, Mianying Huang¹, Hua Zhong¹, Zhaohui Xu², Quanyi Ye¹, Jiating Huang¹, Guozheng Ma³, Zhiguang Xu⁴, Akif Zeb¹, Xiaoming Lin⁵

Affiliations

¹ Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China.
² National Engineering Research Center for Carbohydrate Synthesis, Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, Jiangxi Normal University, Nanchang 330022, China.
³ Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China. Electronic address: gzma@scnu.edu.cn.
⁴ Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China. Electronic address: chzgxu@scnu.edu.cn.
⁵ Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China. Electronic address: linxm@scnu.edu.cn.

PMID: 37494860
DOI: 10.1016/j.jcis.2023.07.099

Abstract

Transition metal oxides (TMOs) have received significant consideration. Because of their enormous theoretical capacity, cheap, and less toxicity. Notably, cobalt-based materials hold promises as negative electrode materials for batteries, but they suffer from less electrical conductivity and significant volume changes during operation. In order to address these challenges, sacrificial templating techniques at the nanoscale offer a potential solution for improving the electrochemical stability and rate performance of these materials. More specifically, these tactics have proven popular for designing Li-ion storages. To ascertain the impact of multiple metal ions on the electrochemical capacity, metal organic frameworks (MOFs) derived MCo₂O₄-MOF (M = Zn, Ni, Cu) were developed. Among these, ZnCo₂O₄ showed the best electrochemical performance (927.2 mAh g^-1 at 0.1 A g^-1 after 250 cycles). Furthermore, calculations based on density functional theory (DFT) revealed that ZnCo₂O₄ had the lowest Li⁺ adsorption energy, with a minimum value of -1.61 eV. Moreover, this research aims to design controllable nanostructures in order to enhance the design of transition bimetallic oxide composites for energy storage applications.

Keywords: DFT calculations; Li-ion battery; MCo(2)O(4); Metal-organic frameworks.