当前位置: X-MOL 学术Chem. Phys. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
χ3 –borophene-based detection of Hydrogen Sulfide via gas nanosensors
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-01-08 , DOI: 10.1016/j.cplett.2019.137066
Mohamad Fazilaty , Majid Pourahmadi , Mohammad Reza Shayesteh , Saeedeh Hashemian

A combination of non-equilibrium Green’s function (NEGF) method and density functional theory was employed to explore a χ3-borophene nanoribbon placed between two χ3-borophene nanoribbon electrodes. This study demonstrates that the Hydrogen Sulfide (H2S) molecule transfers a fraction of charges to the χ3-borophene nanoribbon, thus resulting in highly visible changes in the Density of states (DOS), transmission spectrum and I-V curve. Moreover, changes in the sub-bands of electrodes caused by gas adsorption were found accountable for the current variation. Hence, they are proved to be sensitive nanosensors with high selectivity and the capability to show dramatic industrial application capabilities.



中文翻译:

气体纳米传感器基于χ3-硼烷的硫化氢检测

结合非平衡格林函数(NEGF)方法和密度泛函理论,探索了放置在两个χ3-硼烯纳米带电极之间的χ3-硼烯纳米带。这项研究表明,硫化氢(H 2 S)分子将一部分电荷转移至χ3-硼烷纳米带,从而导致状态密度(DOS),透射光谱和IV曲线的可见变化。此外,发现由气体吸附引起的电极子带的变化是电流变化的原因。因此,它们被证明是具有高选择性的灵敏纳米传感器,并具有显着的工业应用能力。

更新日期:2020-01-09
down
wechat
bug