Abstract
Boron Nitride sheet as a novel surface for medical adsorption and drug synthesis
M. Zawari
DOI : http://dx.doi.org/10.13005/ojc/310103
Abstract:
In this study we investigate Adenine, Guanine, Cytosine and Thymine moleculesadsorption on Boron Nitride by Density-functional theory (DFT). For this purpose we calculate adsorption energy (∆Ead), HOMO- LUMO energy gap(∆Eg), voltage difference (∆V) and (∆q) of Adenine, Guanine, Cytosine and Thymine molecules on different adsorption distances on Boron Nitride layer and compare them.
Keywords:Boron Nitride; Adsorption; DFT studies
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