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

• Published in: Small (Weinheim an der Bergstrasse, Germany) Vol. 18; no. 2
• Main Authors: Zhong, Hou‐Yang, Lu, Xian, Zhong, Yu, Zhao, Yi, Liu, Xin‐Ming, Cheng, Dan‐Hong, Huang, Xiao‐Ying, Du, Ke‐Zhao, Wu, Xiao‐Hui
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 01.01.2022
• Subjects: 2D/3D heterostructures; Alloying; Anodes; Batteries; bimetallic alloys; Bimetals; Charge distribution; Cobalt sulfide; delocalizing charge; Density functional theory; Electric fields; Electrochemical analysis; Electrode materials; Heterostructures; Lithium; Lithium-ion batteries; metal thiophosphate; Nanotechnology; Rechargeable batteries

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 ZnxC...