Electronic properties of germanene monolayer due to adsorption of carbon monoxide

Hamdan, Akmal Adani (2021) Electronic properties of germanene monolayer due to adsorption of carbon monoxide. [Project Paper] (Submitted)

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Abstract

Germanene is a material with intriguing characteristics used in various applications, especially gas sensors. The most focus has been on a thorough understanding of how a toxic gas, carbon monoxide, changes these characteristics in the germanene monolayer. We analyzed the germanene monolayer adsorbed carbon monoxide using first principles calculations based on density functional theory. The exchange correlation functional is calculated using the quantum ESPRESSO. Xcrysden and Gnuplot are among the others installed and utilized in this project. Quantum ESPRESSO was a good quantum simulation program since the simulated structure of germanene monolayer findings was identical to the experimental one. According to the simulations, carbon monoxide tends to adsorb at the bridge site of the germanene monolayer. The band diagram and density of state are examined for electronic characteristics, and we find that the band structure of this adsorption system shows no band gap.

Item Type:	Project Paper
Faculty:	Fakulti Sains
Depositing User:	Ms. ROHANA ALIAS
Date Deposited:	19 Jun 2024 03:30
Last Modified:	25 Jun 2024 10:15
URI:	http://psaspb.upm.edu.my/id/eprint/1972

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