Initially, the geometric and electronic features of red phosphorene nanosheet (P-NS) are examined using the SIESTA package. The energy gap, density of states (DOS) spectrum, and electron density are estimated for the isolated red P-NS, and toxic cigarette vapors acrolein, acrylamide, and nicotine adsorbed red P-NS. In addition, the surface assimilating attributes like Bader charge transfer, energy gap variation, and adsorption energy is computed for the toxic cigarette vapors adsorbed red P-NS. The modification of these significant parameters upon the surface assimilation of the toxic cigarette vapors on red P-NS is clearly scrutinized in atomic levels in order to enunciate the chemo-sensing behavior of red P-NS towards the toxic cigarette vapors like acrolein, acrylamide, and nicotine (which are widely released into the atmosphere through tobacco smoke and cigarette).

最初，使用SIESTA软件包检查了红色磷光纳米片（P-NS）的几何和电子特征。估计了分离出的红色P-NS和有毒香烟蒸气的丙烯醛，丙烯酰胺和尼古丁吸附的红色P-NS的能隙，状态密度（DOS）光谱和电子密度。此外，还针对有毒香烟蒸气吸附的红色P-NS计算了表面同化属性，如Bader电荷转移，能隙变化和吸附能。对红色P-NS上有毒香烟蒸气的表面同化后，这些重要参数的修改已在原子水平上进行了详细审查，以便阐明红色P-NS对有毒香烟蒸气如丙烯醛，丙烯酰胺，