Tailoring and understanding the lithium storage performance of triple-doped cobalt phosphide composites

Hong Ou; Mianying Huang; Ping Li; Canyu Jiang; Hao Zhong; Zhenyu Wu; Minying Zhao; Xiaoming Lin; Akif Zeb; Yongbo Wu; Zhiguang Xu

doi:10.1016/j.jcis.2024.06.049

Tailoring and understanding the lithium storage performance of triple-doped cobalt phosphide composites

J Colloid Interface Sci. 2024 Oct 15:672:753-764. doi: 10.1016/j.jcis.2024.06.049. Epub 2024 Jun 6.

Authors

Hong Ou¹, Mianying Huang¹, Ping Li², Canyu Jiang³, Hao Zhong¹, Zhenyu Wu¹, Minying Zhao¹, Xiaoming Lin⁴, Akif Zeb¹, Yongbo Wu⁵, Zhiguang Xu⁶

Affiliations

¹ Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China.
² Department of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China.
³ Guangdong Country Garden School, Foshan, Guangdong 528312, China.
⁴ 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.
⁵ Key Laboratory of Atomic and Subatomic Structure and Quantum Control (Ministry of Education), Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, School of Physics, South China Normal University, Guangzhou 510006, China; Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, Guangdong-Hong Kong Joint Laboratory of Quantum Matter, South China Normal University, Guangzhou 510006, China.
⁶ 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.

PMID: 38870766
DOI: 10.1016/j.jcis.2024.06.049

Abstract

Cobalt phosphide (CoP) with high theoretical capacity as well as ceramic-like and metal-like properties is considered as a promising anode for lithium-ion batteries (LIBs). However, the large volume change and sluggish kinetic response limit its practical application. The optimization of composition, structural control and performance regulation of CoP electrodes can be achieved by the bottom-up assembly technique of metal-organic frameworks (MOFs). Due to the effective electronic regulation and lithiophilicity brought by the multiple heteroatoms doping and the synergistic effect of the unique structure derived from MOFs, the N, O, P triple-doped carbon and CoP composites (ZCP@NOP) exhibited excellent rate capability (554.61 mAh g^-1 at 2 A g^-1) and cycling stability (806.7 mAh g^-1 after 500 cycles at 0.5 A g^-1). The essence and evolution of lithium storage mechanism in CoP electrodes are also confirmed by the ex-situ techniques. The synergistic benefits of heteroatom co-doping carbon and cobalt phosphide, such as the decrease of the diffusion energy barrier of Li-ions and the optimization of electronic structures, are highlighted in theoretical calculations. In conclusion, new thoughts and ideas for the creation of future battery anode are provided by the combination of the N, O, P co-doping and the adaptable structural adjustment technique.

Keywords: Cobalt phosphide; DFT calculation; Lithium storage; Metal-organic frameworks; Triple-doping strategy.