Saeedeh Kamalinahad

[ 1 ] - Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study

Adsorption of cyanogen molecule on the surface of pristine and Sc-doped B12N12 nanocage is scrutinized using at DFT calculations to investigating its potential as chemical nanosensors. The results show that cyanogen is weakly adsorbed on the pristine B12N12 and consequently its electrical properties are changed insignificantly. In order to improve the...