Citation

Abdullahi, Yusuf Zuntu and Ahmad, Sohail and Lim, Thong Leng (2026) Buckled C2N graphenylene for hydrogen storage and Li/Na–S batteries: A first-principles study. Journal of Energy Storage, 158. p. 121667. ISSN 2352-152X

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Abstract

This paper investigates the potential of buckled C2N graphenylene for hydrogen storage and Li/Na–S batteries applications using first-principles density functional theory (DFT) calculations. Our findings suggest that the C2N monolayer is mechanically, energetically, dynamically, and thermally stable. Both results of the Perdew– Burke–Ernzerhof (PBE) and Heyd–Scuseria–Ernzerhof (HSE06) band structure show that the C2N monolayer exhibits metallic property. The obtained adsorption energy (

Item Type:	Article
Uncontrolled Keywords:	Toxic gas, hydrogen storage
Subjects:	T Technology > TK Electrical engineering. Electronics Nuclear engineering > TK2896-2985 Production of electricity by direct energy conversion
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Rosnani Abd Wahab
Date Deposited:	04 May 2026 02:16
Last Modified:	07 May 2026 08:07
URII:	http://shdl.mmu.edu.my/id/eprint/15827

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