Effect of Al- And Ga-doping on the adsorption of H₂SiCl₂ onto the outer surface of boron nitride nanotube: A DFT study

There is a compelling reason to design cost-effective sensors to detect and measure harmful molecules such as dichlorosilane (H₂SiCl₂) in the air. In this work, density functional theory (DFT) has been used to study the nature of the intermolecular interactions between the H₂SiCl₂ gas molecule with...