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Although the performance of the self-standing electrode has been enhanced for aqueous zinc-ion batteries (AZIBs), it is necessary to explore and analyse the deep modification mechanism (especially interface effects). Herein, density functional theory (DFT) calculations are applied to investigate the high-performance cathode based on the VO2/carbon cloth composites with heterostructures interface (H-VO2@CC). The adsorption energy comparisons and electron structure analyses verify that H-VO2@CC has extra activated sites at the interface, enhanced electrical conductivity, and structural stability for achieving high-performance AZIBs due to the presence of built-in electric field at the interfaces. Accordingly, the designed self-standing H-VO2@CC cathode delivers higher rate capacity, longer-life cyclability, and faster electronic/ion transmission kinetics benefiting from the synergistic effects. The risks of active material shedding and dissolution during the dis/charge process of two cathodes were evaluated via ex-situ ultraviolet–visible (UV–vis) spectrum and inductively coupled plasma-atomic emission spectroscopy (ICP-AES) technique. Finally, this investigation also explores the charge storage mechanism of H-VO2@CC through various ex-situ and in-situ characterization techniques. This finding can shed light on the significant potential of heterostructures interface engineering in practical applications and provide a valuable direction for the development of cathode materials for AZIBs and other metal-ion batteries.


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Accelerated ion/electron transport kinetics and increased active sites via local internal electric fields in heterostructured VO2–carbon cloth for enhanced zinc-ion storage

Show Author's information Ping Luo1Wenwei Zhang1,2( )Wanyue Cai1Zhen Huang1Gangyuan Liu1Chang Liu1Shiyu Wang1Feng Chen1Lixue Xia3( )Yan Zhao3( )Shijie Dong1,4Lu Xia1
Hubei Provincial Key Laboratory of Green Materials for Light Industry, Hubei Engineering Laboratory of Automotive Lightweight Materials and Processing, New Materials and Green Manufacturing Talent Introduction and Innovation Demonstration Base School of Materials and Chemical Engineering, Hubei University of Technology, Wuhan 430068, China
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China
State Key Laboratory of Silicate Materials for Architectures, International School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070, China
Wuhan Polytechnic University, Wuhan 430023, China

Abstract

Although the performance of the self-standing electrode has been enhanced for aqueous zinc-ion batteries (AZIBs), it is necessary to explore and analyse the deep modification mechanism (especially interface effects). Herein, density functional theory (DFT) calculations are applied to investigate the high-performance cathode based on the VO2/carbon cloth composites with heterostructures interface (H-VO2@CC). The adsorption energy comparisons and electron structure analyses verify that H-VO2@CC has extra activated sites at the interface, enhanced electrical conductivity, and structural stability for achieving high-performance AZIBs due to the presence of built-in electric field at the interfaces. Accordingly, the designed self-standing H-VO2@CC cathode delivers higher rate capacity, longer-life cyclability, and faster electronic/ion transmission kinetics benefiting from the synergistic effects. The risks of active material shedding and dissolution during the dis/charge process of two cathodes were evaluated via ex-situ ultraviolet–visible (UV–vis) spectrum and inductively coupled plasma-atomic emission spectroscopy (ICP-AES) technique. Finally, this investigation also explores the charge storage mechanism of H-VO2@CC through various ex-situ and in-situ characterization techniques. This finding can shed light on the significant potential of heterostructures interface engineering in practical applications and provide a valuable direction for the development of cathode materials for AZIBs and other metal-ion batteries.

Keywords: density functional theory, built-in electric field, aqueous zinc ion battery, heterostructures interface, VO2(B)

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Publication history
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Publication history

Received: 21 April 2022
Revised: 27 June 2022
Accepted: 08 July 2022
Published: 28 July 2022
Issue date: January 2023

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