Journal
APPLIED SURFACE SCIENCE
Volume 376, Issue -, Pages 286-289Publisher
ELSEVIER
DOI: 10.1016/j.apsusc.2016.03.037
Keywords
Arsenene; Dirac material; Halogenated; Functionalization; Electronic properties; First-principles computations
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Funding
- National Science and Technology Major Project of the Ministry of Science and Technology of China [2013ZX04008011]
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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. (C) 2016 Elsevier B.V. All rights reserved.
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