A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage

A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage

Based on density functional theory calculation, we screened suitable Ti-decorated carbon-based hydrogen adsorbent structures. The adsorption characteristics and adsorption mechanism of hydrogen molecules on the adsorbent were also discussed. The results indicated that Ti-decorated double vacancy (2...

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Bibliographic Details
Main Authors: Kai Ma, Erfei Lv, Di Zheng, Weichun Cui, Shuai Dong, Weijie Yang, Zhengyang Gao, Yu Zhou
Format: Article
Language:English
Published: MDPI AG 2021-10-01
Series:Energies
Subjects:
hydrogen storage
first-principles
graphene
titanium decoration
adsorption
Online Access:https://www.mdpi.com/1996-1073/14/20/6845

Internet

https://www.mdpi.com/1996-1073/14/20/6845

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