The chemo sensing features of red tricycle arsenene nanosheet (RTANS), a monolayer obtained from allotropes of arsenic is employed in sensing the hazardous vapor nitroglycerin (NG) based on the first-principles investigation. The computations are carried out with the ATK-VNL package. The stability of the RTANS is validated by its formation energy, which is calculated as −4.171 eV/atom. The adsorption energy, Bader charge transfer, energy gap, and its variation after adsorption are the essential parameters that hold up the discussion on RTANS base material as an efficient chemical sensor. Moreover, the target vapor NG is physisorbed on RTANS. Besides, all the essential parameters have been investigated for the interaction of NG on RTANS. The comprehensive study reveals that RTANS can be used as a chemical sensor for the detection of nitroglycerin vapors.

基于第一性原理研究，从砷的同素异形体获得的单分子层红三轮车砷纳米片（RTANS）的化学感应功能被用于感应有害的蒸气硝酸甘油（NG）。计算是使用ATK-VNL软件包进行的。RTANS的稳定性通过其形成能验证，其形成能为-4.171 eV /原子。吸附能，Bader电荷转移，能隙及其在吸附后的变化是必不可少的参数，这成为了将RTANS基材用作有效化学传感器的讨论的关键。而且，目标蒸气NG被物理吸附在RTANS上。此外，还研究了NG在RTANS上相互作用的所有基本参数。