Zeynab Hoseini
Department of Chemistry, College of Chemical Engineering, Mahshahr Branch,Islamic Azad University, Mahshahr, Iran
[ 1 ] - Adsorption of Phosphine on a BN Nanosurface
Electrical sensitivity of a Boron Nitride Nano Sheet (BNNS) to phosphine (PH3) molecule is studied using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d) level of theory. The adsorption energy (Ead) of phosphine on the surface of the pristine Nanosheet is about -678.96×1019eV. Pristine BNNS is a suitable adsorbent for phosphine and can be u...
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