四氢呋喃
二甲基亚砜
吸附
吸附
化学吸附
带隙
亚砜
化学
分子
水溶液
材料科学
物理化学
有机化学
溶剂
光电子学
作者
V. Nagarajan,R. Chandiramouli
标识
DOI:10.1016/j.apsusc.2022.153210
摘要
The innovation of arsenene opens the door for many fascinating applications. In the present work, gamma arsenene nanotubes (γ-AsNT) are designed and structural stability is ensured. Besides, γ-AsNT exhibits an energy band gap of 0.346 eV. We deployed γ-AsNT as detecting and removing material for dimethyl sulfoxide (DMSO) and tetrahydrofuran (THF) in the water. The adsorption energy studies reveal the chemisorption of DMSO and THF on γ-AsNT. The changes in the projected density of states (PDOS) and band structure are observed owing to the adsorption of DMSO and THF on γ-AsNT. The electron density difference variations due to DMSO and THF adsorption are also explored. The findings open the gate for new sensing and removal mediums towards DMSO and THF molecules in the aqueous environment.
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