Influence of Defects in Boron Nitride Nanotubes in the Adsorption of Molecules. Insights from B3LYP-D2* Periodic Simulations
The adsorption of H2O, NH3 and HCOOH as polar molecules and C6H6 and CH4 as non-polar ones on a series of zig-zag (6,0) single-walled boron nitride nanotubes (BNNTs) both being defect-free (P_BNNT) and containing defects at the nanotube walls has been studied by means of B3LYP-D2* periodic calculati...
Kaydedildi:
| Asıl Yazarlar: | , |
|---|---|
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
MDPI AG
2016-05-01
|
| Seri Bilgileri: | Crystals |
| Konular: | |
| Online Erişim: | http://www.mdpi.com/2073-4352/6/5/63 |
| Etiketler: |
Etiket eklenmemiş, İlk siz ekleyin!
|