Formaldehyde and formic acid (in its vapor form) are considered as target vapors in the current study, and the ability of graphdiyne nanosheet to detect target vapors is scrutinized. First and foremost, the stable conduct of the intended prime material, graphdiyne nanosheet is ascertained with the help of cohesive formation energy. Furthermore, the electronic characteristics like band structure, the projected density of states spectrum and electron density are investigated for the solitary and target vapor adsorbed graphdiyne nanosheet. Finally, the adsorption characteristics of the target vapor on the chief component namely the Bader charge transfer, adsorption energy and average energy gap variation are assessed for all the cases. The investigation, as a whole, suggests the deployment of graphdiyne nanosheet as a chief component in detecting formaldehyde and formic acid vapors.

在当前的研究中，甲醛和甲酸（以蒸气形式）被认为是目标蒸气，并且仔细研究了石墨二炔纳米片检测目标蒸气的能力。首先，借助内聚形成能确定所需主要材料石墨二炔纳米片的稳定导电性。此外，研究了孤立和目标气相吸附石墨二炔纳米片的电子特性，如能带结构，态谱投影密度和电子密度。最后，评估了所有情况下目标蒸气在主要成分上的吸附特性，即Bader电荷转移，吸附能和平均能隙变化。整个调查