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Keywords = HCN adsorption
Number of Articles: 1
The theoretical study of adsorption of HCN gas on the surface of pristine, Ge, P and GeP-doped (4, 4) armchair BNNTs
Volume 6, Issue 3, pp. 218-324, Serial No. 20 , July 2018, , Pages 280-292
Abstract
In this research, the effects of HCN adsorption on the surface of the pristine, Ge, P, and GeP doped boron nitride nanotube (BNNTs) are investigated by using density function theory at the B3LYP/6–31G(d, p) level of theory. At the first step, we consider different configurations for adsorbing HCN ... Read More)