Computational Evaluation of Li-doped g-C2N Monolayer as Advanced Hydrogen Storage Media

Title
Computational Evaluation of Li-doped g-C2N Monolayer as Advanced Hydrogen Storage Media
Authors
Keywords
DFT, AIMD, DOS, Ab initio
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 47, Issue 6, Pages 3625-3632
Publisher
Elsevier BV
Online
2021-12-02
DOI
10.1016/j.ijhydene.2021.11.003

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