Nanochemistry
The computational study of adsorption of carbon monoxide on pristine and Ge-doped (6,0) zigzag models of BNNTs

Mahdi Rezaei Sameti; Nina Alisafarzadeh

Volume 2, Issue 3, pp. 162-231, Serial No. 4 , July 2014, , Pages 209-221

Abstract
  The aim of this research is studying the effects of Ge-doped on CO adsorption on the outer and inner surfaces of (6, 0) zigzag model of boron nitride nanotube (BNNTs) by using DFT theory. For this purpose, eight models of CO adsorption on the surfaces of BNNTs are considered. At first step, all structures ...  Read More

The computational study of adsorption of carbon monoxide on pristine and Ge-doped (6,0) zigzag models of BNNTs