NH3 and PH3 adsorption through single walled ZnS nanotube: First principle insight

- 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.