Abstract
Arsenene is the graphene-like arsenic nanosheet, which has been predicted very recently [S. Zhang, Z. Yan, Y. Li, Z. Chen, and H. Zeng, Angewandte Chemie, 127 (2015) 3155-3158]. Using first-principles calculations, we systematically investigate the structures and electronic properties of fully-halogenated arsenenes. Formation energy analysis reveals that all the fully-halogenated arsenenes except iodinated arsenene are energetically favorable and could be synthesized. We have revealed the presence of Dirac cone in fully-halogenated arsenene compounds. They may have great potential applications in next generation of high-performance devices.
| Original language | English |
|---|---|
| Pages (from-to) | 286-289 |
| Number of pages | 4 |
| Journal | Applied Surface Science |
| Volume | 376 |
| DOIs | |
| State | Published - Jul 15 2016 |
| Externally published | Yes |
Funding
The authors would like to thank for the continuous funding support of the National Science and Technology Major Project of the Ministry of Science and Technology of China (2013ZX04008011). Fig. 1 was generated using the VESTA program [23] .
Keywords
- Arsenene
- Dirac material
- Electronic properties
- First-principles computations
- Functionalization
- Halogenated
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