Effect of Al- and Ga-doping on the adsorption of H$_{2}$SiCl$_{2}$ 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 ($\mathrm{H}_{2}\mathrm{SiCl}_{2}$) in the air. In this work, density functional theory (DFT) has been used to study the nature of the intermolecular interactions between the...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Académie des sciences
2021-09-01
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| Series: | Comptes Rendus. Chimie |
| Subjects: | |
| Online Access: | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.87/ |