Hydrogen Storage Mechanism in Sodium-Based Graphene Nanoflakes: A Density Functional Theory Study

Hydrogen Storage Mechanism in Sodium-Based Graphene Nanoflakes: A Density Functional Theory Study

Carbon materials, such as graphene nanoflakes, carbon nanotubes, and fullerene, can be widely used to store hydrogen, and doping these materials with lithium (Li) generally increases their H<sub>2</sub>-storage densities. Unfortunately, Li is expensive; therefore, alternative metals are...

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Bibliographic Details
Main Authors: Hiroto Tachikawa, Heewon Yi, Tetsuji Iyama, Shuhei Yamasaki, Kazuhisa Azumi
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Hydrogen
Subjects:
DFT
biding energy
electronic states
coordination number
Online Access:https://www.mdpi.com/2673-4141/3/1/3

Internet

https://www.mdpi.com/2673-4141/3/1/3

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