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A Review on Borophene: A Potential Gas-Capture Material
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Journal Article
A Review on Borophene: A Potential Gas-Capture Material
2023
Overview
After the enormous success of graphene, researchers have been extensively searching for similar materials to explore potential future insights for nanotechnology applications. In 2015, an emerging material called borophene was synthesized on an Ag substrate. Because of the unique physical and electronic properties of borophene, it has been recognized as a prospective material for the advancement of cutting-edge technology. In this review, we have summarized the computational study of one of the most promising gas-capture materials, borophene, i.e., the gas adsorption of gases such as sulfur dioxide (SO2), carbon monoxide (CO), carbon dioxide (CO2), hydrogen sulfide (H2S), hydrogen cyanide (HCN), methanal (HCOH), adenine (AD), dimethylamine (DMA), trimethylamine (TMA), nitric oxide (NO), ammonia (NH3), and nitrogen dioxide (NO2), and volatile organic compounds (VOCs) like benzene (C6H6), ethylene (C2H4), ethane (C2H6), toluene (Ph-CH3), methanol (H3COH), methyl chloride (H3CCl), formic acid (HCOOH), and formaldehyde (H2CO) on the borophene surface using density functional theory (DFT). Furthermore, in the abovementioned study, the adsorption energy (Ead) and the density of states (DOS) of the respective gases are explained.
