Abstract
The structural, electronic, and mechanical properties of single-walled MoTe 2 nanotubes are investigated using density functional theory. All large-diameter MoTe 2 nanotubes are found to be narrow-gap semiconductors, whereas small-diameter nanotubes are found to be less stable compared to large-diameter nanotubes. Notably, the armchair MoTe 2 nanotubes exhibit an indirect band gap, whereas the zigzag nanotubes exhibit a direct band gap. The band gap decreases with decreasing diameter of the tube or if the tube is under compression or elongation in the axial direction. Young's modulus of MoTe 2 nanotubes is calculated and is found to be dependent on the diameter and chirality of the tubes. The armchair nanotubes are Stifter than the zigzag nanotubes with the same diameter. Compared to the homologous MoS 2 nanotubes, the MoTe 2 nanotubes are softer due to less strain-energy cost in forming the nanotube structures. © 2007 American Chemical Society.
| Original language | English |
|---|---|
| Pages (from-to) | 2987-2992 |
| Journal | Nano Letters |
| Volume | 7 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - Oct 2007 |
| Externally published | Yes |
Bibliographical note
Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].Fingerprint
Dive into the research topics of 'Single-walled MoTe 2 nanotubes'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver