The electronic sensitivity of pure, P-doped and Ga-doped graphyne to arsine was studied by density functional theory calculations. As AsH3 approaches the graphyne, its adsorption releases 3.6 to 5.2 kcal mol–1 of energy, indicating weak adsorption. Also, the electronic properties of the sheet do not change significantly. Unlike P-doping, Ga-doping improves the performance of the graphyne and makes it more reactive and sensitive to AsH3. According to the calculations, the AsH3 adsorption reduces the HOMO/LUMO gap (Eg) of the Ga-doped graphyne from 2.27 to 1.58 eV (approximately –30.40%), which concludes that the electrical conductivity of the nanosheet has increased. Thus, the Ga-doped sheet can generate electrical signals when the AsH3 molecules approach. But AsH3 could not significantly alter the electronic properties of P-doped graphyne. [ABSTRACT FROM AUTHOR]