Assessing electrochemical properties and diffusion dynamics of metal ions (Na, K, Ca, Mg, Al and Zn) on a C2N monolayer as an anode material for non-lithium ion batteries-Reference-Cited by-同舟云学术

Assessing electrochemical properties and diffusion dynamics of metal ions (Na, K, Ca, Mg, Al and Zn) on a C2N monolayer as an anode material for non-lithium ion batteries

Published:2020 Issue:37 Volume:22 Page:21208-21221
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ding Yingchun¹²³⁴⁵^ORCID,Deng Qijiu¹²³⁴,You Caiyin¹²³⁴,Xu Yunhua¹²³⁴,Li Jilin¹²³⁴,Xiao Bing⁶⁷⁸⁴^ORCID

Affiliation:

1. School of Materials Science and Engineering

2. Xi’an University of Technology

3. Xi’an 710048

4. P. R. China

5. College of Optoelectronics Technology

6. State Key Laboratory of Electrical Insulation and Power Equipment & School of Electrical Engineering

7. Xi’an Jiaotong University

8. Xi’an 710049

Abstract

We perform first-principles molecular dynamics (FPMD) simulations together with a CI-NEB method to explore the structure, electrochemical properties and diffusion dynamics of a C₂N monolayer saturated with various univalent, bivalent and trivalent metal ions.

Funder

National Natural Science Foundation of China

Education Department of Sichuan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02524K

Reference47 articles.

1. Structural design of graphene for use in electrochemical energy storage devices

2. A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage