Volume 18, Issue 2 2104295
Research Article

Lithium Storage Performance Boosted via Delocalizing Charge in ZnxCo1−xPS3/CoS2 of 2D/3D Heterostructure

Hou-Yang Zhong

Hou-Yang Zhong

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Xian Lu

Xian Lu

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Yu Zhong

Yu Zhong

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Yi Zhao

Yi Zhao

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Xin-Ming Liu

Xin-Ming Liu

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Dan-Hong Cheng

Dan-Hong Cheng

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

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Xiao-Ying Huang

Xiao-Ying Huang

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002 China

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Ke-Zhao Du

Corresponding Author

Ke-Zhao Du

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

E-mail: [email protected]; [email protected]

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Xiao-Hui Wu

Corresponding Author

Xiao-Hui Wu

College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou, 350002 China

E-mail: [email protected]; [email protected]

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First published: 29 October 2021
Citations: 9

Abstract

A promising anode material consisting of bimetallic thiophosphate ZnxCo1−xPS3 and CoS2 with 2D/3D heterostructure is designed and prepared by an effective chemical transformation. Density functional theory calculations illustrate that the Zn2+ can effectively modulate the electrical ordering of ZnxCo1−xPS3 on the nanoscale: the reduced charge distribution emerging around the Zn ions can enhance the local built-in electric field, which will accelerate the ions migration rate by Coulomb forces and provide tempting opportunities for manipulating Li+ storage behavior. Moreover, the merits of the large planar size enable ZnxCo1–xPS3 to provide abundant anchoring sites for metallic CoS2 nanocubes, generating a 2D/3D heterostructure with a strong electric field. The resultant ZnxCo1−xPS3/CoS2 can offer the combined advantages of bimetallic alloying and heterostructure in lithium storage applications, leading to outstanding performance as an anode material for lithium-ion batteries. Consequently, a high capacity of 794 mA h g−1 can be retained after 100 cycles at 0.2 A g−1. Even at 3.0 A g−1, a satisfactory capacity of 465 mA h g−1 can be delivered. The appealing alloying-heterostructure and electrochemical performance of this bimetallic thiophosphate demonstrate its great promise for applications in practical rechargeable batteries.

Conflict of Interest

The authors declare no conflict of interest.

Data Availability Statement

Research data are not shared.

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