Citation

Haouam, Marwa and Tahir, Jabir Adamu and Lim, Thong Leng and Abdullahi, Yusuf Zuntu (2026) C2N graphenylene for CO2 gas detection: A first-principles study. Materials Letters, 423. p. 141390. ISSN 0167577X

Text C2N graphenylene for CO2 gas detection_ A first-principles study - ScienceDirect.pdf - Published Version Restricted to Repository staff only Download (305kB)

Abstract

In this work, we use a first-principles density functional theory (DFT) calculations to examine how CO2 gas interacts with the newly designed C2N sheet, focusing on its potential for gas detection. The obtained results indicate that the CO2 interaction on C2N surface is characterized by physisorption supported by adsorption energy (E

Item Type:	Article
Uncontrolled Keywords:	Computational simulations
Subjects:	Q Science > QA Mathematics > QA71-90 Instruments and machines > QA75.5-76.95 Electronic computers. Computer science
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Rosnani Abd Wahab
Date Deposited:	03 Sep 2026 02:54
Last Modified:	03 Sep 2026 02:56
URII:	http://shdl.mmu.edu.my/id/eprint/16588

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