Ca-decorated holey graphyne for reversible hydrogen storage: Insights from DFT analysis

Srikanth Adithya; Unnati Jethawa; Sk. Musharaf Ali; Brahmananda Chakraborty

doi:10.1016/j.ijhydene.2024.09.376

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Ca-decorated holey graphyne for reversible hydrogen storage: Insights from DFT analysis

Srikanth Adithya Unnati Jethawa Sk. Musharaf Ali Brahmananda Chakraborty

Year: 2024 Journal: International Journal of Hydrogen Energy Vol: 90 Pages: 470-480 Publisher: Elsevier BV

DOI: 10.1016/j.ijhydene.2024.09.376

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Keywords:

Graphyne Hydrogen storage Materials science Hydrogen Density functional theory Chemistry Computer science Chemical engineering Computational chemistry Organic chemistry

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Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

Graphene research and applications

Physical Sciences → Materials Science → Materials Chemistry

Advancements in Battery Materials

Physical Sciences → Engineering → Electrical and Electronic Engineering

Ca-decorated holey graphyne for reversible hydrogen storage: Insights from DFT analysis

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