The proposed research article investigates on the adsorption behaviour of the prime substance blue phosphorene nanosheet (BPNS) with the pollutant vapours CO, CO₂, NO and NO₂ by utilizing ab-initio method. Initially the BPNS stability is guaranteed by calculating its formation energy and it is calculated as −4.149 eV/atom. Before performing the adsorption studies, the structural and electronic characteristics of BPNS are investigated. Then the interaction between the prime substance BPNS and the pollutant vapours are analysed with the support of adsorption energy, energy band gap, Bader charge transfer, and a change in band gap together with DOS and energy band structure spectrum. The humidity effects on BPNS have also been studied by sensing the H₂O molecule. The energy band gap of BPNS without pollutant adsorption is observed as 1.999 eV. Though, the adsorption of CO, CO₂, NO and NO₂ vary the energy gap of BPNS. Thus, the outcome of this research suggests that BPNS can be used as an efficient sensing material for pollutant vapours especially NO and NO₂ even in the humidity environment.

拟议的研究文章采用从头算的方法研究了主要物质蓝色磷光纳米片（BPNS）在污染物蒸气CO，CO ₂，NO和NO _2中的吸附行为。最初，BPNS的稳定性是通过计算其形成能来保证的，其计算值为-4.149 eV / atom。在进行吸附研究之前，先研究了BPNS的结构和电子特性。然后在吸附能，能带隙，Bader电荷转移，能带隙的变化以及DOS和能带结构谱的支持下，分析了原始物质BPNS与污染物蒸气之间的相互作用。还通过感测H _2来研究湿度对BPNS的影响O分子。没有污染物吸附的BPNS的能带隙为1.999 eV。但是，CO，CO ₂，NO和NO ₂的吸附会改变BPNS的能隙。因此，这项研究的结果表明，即使在潮湿环境中，BPNS仍可作为一种有效的传感材料，用于污染物蒸汽，尤其是NO和NO ₂。