Evaluation of alkali metal-decorated BeC monolayers as reversible hydrogen storage media by first-principles calculations

Journal of Physics D Applied Physics 2026 Open access

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Authors: Hanxin Xing, Siya Jia, Yongliang Yong, Zhiyong Liu, Wentao Guo, Shaofeng Zhang, Xinxin Wang, Xinli Li
DOI: 10.1088/1361-6463/ae57b8
Cited by: 2
References: 73

Abstract

Abstract The development of novel hydrogen storage materials (HSMs) with high capacity and efficient reversibility is of importance for the practical applications of hydrogen energy. Here, the H 2 adsorption behaviors and storage performance of the BeC monolayers decorated without and with Li, Na, and K metals were explored by first-principles method. The adsorption of H 2 molecules on the BeC monolayer is relatively weak (adsorption energy

Fields of Study & Subjects

Hydrogen Storage and Materials Fiber-reinforced polymer composites Boron and Carbon Nanomaterials Research

Publication details

Journal / source
Journal of Physics D Applied Physics
Publisher
IOP Publishing
Volume
59
Issue
14
Pages
145503–145503
Publication date
26 March 2026