Calculated Outstanding Energy-Storage Media by Aluminum-Decorated Carbon Nitride (g-C<sub>3</sub>N<sub>4</sub>): Elucidating the Synergistic Effects of Electronic Structure Tuning and Localized Electron Redistribution

Calculated Outstanding Energy-Storage Media by Aluminum-Decorated Carbon Nitride (g-C<sub>3</sub>N<sub>4</sub>): Elucidating the Synergistic Effects of Electronic Structure Tuning and Localized Electron Redistribution

Hydrogen, as an important clean energy source, is difficult to store and transport, which hinders its applications in real practice. Developing robust yet affordable storage media remains to be a challenge for scientists. In this study, Ab Initio Molecular Dynamics (AIMD) simulations were employed t...

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Bibliographic Details
Main Authors: Peng Gao, Zonghang Liu, Jiefeng Diao, Jiaao Wang, Jiwen Li, Yuebin Tan, Guangtong Hai, Graeme Henkelman
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Crystals
Subjects:
DFT
hydrogen capture
two-dimensional materials
C<sub>3</sub>N<sub>4</sub>
energy materials
Online Access:https://www.mdpi.com/2073-4352/13/4/655

Internet

https://www.mdpi.com/2073-4352/13/4/655

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