In the present research, β-bismuthene nanosheet (β-BiNS) is used as a base substrate to adsorb two volatile organic vapors evolved from sewer headspace, namely, benzyl alcohol (BA), and 2-methyldecalin (MD). Initially, the structural firmness of β-BiNS is established using cohesive formation energy and observed to be stable. The surface adsorption of BA and MD molecules on β-BiNS are explored with regard to the density of states, energy gap variation, adsorption energy, and charge transfer. Besides, β-BiNS exhibits chemi-resistive behavior upon adsorption and desorption of BA and MD vapors, which indicates its use as chemosensor towards toxic vapors evolved from sewer headspace.

在本研究中，β-铋纳米片（β-BiNS）被用作吸附从下水道顶部空间逸出的两种挥发性有机蒸气的基础基板，即苯甲醇（BA）和2-甲基十氢化萘（MD）。最初，β-BiNS的结构牢固性是利用内聚形成能建立的，并且观察到是稳定的。研究了BA和MD分子在β-BiNS上的表面吸附状态密度，能隙变化，吸附能和电荷转移。此外，β-BiNS对BA和MD蒸气的吸附和解吸表现出化学抗性，这表明它用作下水道顶空释放出的有毒蒸气的化学传感器。