Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2
Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2

Shaghayegh Ariaei; Hossein Basiri; Mojtaba Ramezani

Volume 2, Issue 1 , March 2020, , Pages 18-25

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.4

Abstract
  The interactions between boron carbide (BC) nanocluster of B16C16 and H2O, NO2, CO, and CH4 small molecules were investigated by using density functional theory (DFT) computations to ...  Read More