| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379550 | Chemical Physics Letters | 2015 | 7 Pages |
Abstract
- Sensing ability of ZnS nanotube for NH3 and PH3 analyzed through DFT approach.
- For preferred orientation NH3 and PH3 molecule chemisorbed on nanotube surface.
- The HOMO-LUMO gap lowered with respect to pristine nanotube.
- Interaction for most favourable orientation is scrutinized using CDA analysis.
- Sensing ability of ZnS measured in terms of charge transfer and I-V relationship.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Md. Shahzad Khan, Anurag Srivastava, Rajneesh Chaurasiya, Mohd. Shahid Khan, Piyush Dua,