Abazar Azodi
Department of Chemistry, Payame Noor University, Tehran, Iran.
[ 1 ] - Theoretical insights into the adsorption behavior of CO molecules on the pure and Vn-doped BN nanotubes
Interaction of pure and Vn-doped (8, 0), (12, 0) and (16, 0) boron nitride nanotubes with CO molecules was studied using B3LYP/6-311++G(d) theoretical level. Substituting V instead of B atoms, increased the reactivity of nanotube. From the results, the complex stability depends on the direction and the number of the CO molecules interacted with the nanotube. In this work, the quantum...
نویسندگان همکار