The electronic and structural responses of B 12 N 12 nanocage toward the adsorption of some nonpolar X 2 molecules: X = (Li, Be, B, N, O, F, Cl, Br, I): A DFT approach-Reference-Cited by-同舟云学术

The electronic and structural responses of B 12 N 12 nanocage toward the adsorption of some nonpolar X 2 molecules: X = (Li, Be, B, N, O, F, Cl, Br, I): A DFT approach

Published:2017-05 Issue: Volume:1108 Page:63-69
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Bahrami Aidin,Qarai Mohammad Balooch,Hadipour Nasser L.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference36 articles.

1. Nanocrystalline V2O5–TiO2 thin-films for oxygen sensing prepared by sol–gel process

2. Adsorption of NH3 and NO2 molecules on carbon nanotubes

3. Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

4. A DFT study on doping assisted changing of B80 electronic structure: Promising candidates for NH3 sensor

5. Structure and Stability of Boron Nitrides: Isomers of B12N12

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