DFT calculations of the synergistic effect of λ-MnO2/graphene composites for electrochemical adsorption of lithium ions
Author:
Affiliation:
1. Department of Chemical Engineering
2. Taiyuan University of Technology
3. Taiyuan 030024
4. P. R. China
5. State Key Laboratory of Chemical Engineering and Department of Chemistry
6. East China University of Science and Technology
7. Shanghai
Abstract
Density functional theory (DFT) was used to calculate the geometric and electronic structure of λ-MnO2 and λ-MnO2/graphene composites.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00714H
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