A new class of quasi-planar 2D borophene $B_{35}$ has been investigated for gas sensing properties towards different atmospheric gases by DFT methods. The global minimum structures show the gases prefers the hexagonal hollow site available in $B_{35}$ clusters. Adsorption of the gases significantly changes electrostatic potential and the HOMO–LUMO energy gap of $B_{35}$. The adsorption energies, ionization potential and molecular orbital analysis revealed that $\mathit{NO},N_{2}O$, and ${\mathit{NH}}_3$ gases for $B_{35}$ nanocluster are adsorbed via physisorption process while ${\mathit{NO}}_2$ is chemically adsorbed. The adsorption and electronic properties analysis suggest that the $B_{35}$ cluster can be used as atmospheric gas sensor.

一类新的准平面二维borophene ${乙}_{35}$已经通过DFT方法研究了对不同大气气体的气体传感特性。整体最小结构表明气体更喜欢六角形的空心位置${乙}_{35}$集群。气体的吸附会显着改变静电势和HOMO-LUMO能隙${乙}_{35}$。吸附能，电离势和分子轨道分析表明$\mathit{没有}，{ñ}_2Ø$和 ${\mathit{NH}}_3$ 气体 ${乙}_{35}$ 纳米簇通过物理吸附过程被吸附，而 ${\mathit{没有}}_2$被化学吸附。吸附和电子性能分析表明${乙}_{35}$ 该簇可用作大气气体传感器。