Interaction studies of aniline on pristine and Al-doped ε-Arsenene nanosheets - A first-principles insight

The epsilon-form of Arsenene Nanosheet (epsilon-AsNs) is exercised as a chief component in the present study. In addition, substitution doping of a group-IIIA element - Aluminium on epsilon-AsNs is performed. The electronic properties, namely, the energy band gap and electron difference density are evaluated for the isolated epsilon-AsNs and Al-doped epsilon-AsNs along with the aniline interacted chief component. Further, the interaction properties, namely, the Bader charge transfer, binding energy together with average energy gap deviation are also dealt with in the current report. The findings propound the utility of Al-doped epsilon-AsNs to sense the ubiquity of aniline vapor.