期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 3, 期 18, 页码 4756-4761出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5tc00759c
关键词
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资金
- National Key Basic Research Program [2011CB921404]
- NSFC [21421063, 91021004, 21233007]
- Chinese Academy of Sciences (CAS) [XDB01020300]
- USTCSCC, SCCAS, Tianjin
- Shanghai Supercomputer Centers
- Scientific Discovery through Advanced Computing (SciDAC) Program - U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences
Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their single components. Here, first-principles calculations are performed to study the structural and electronic properties of hybrid graphene and phosphorene nanocomposites. Our calculations show that weak van der Waals interactions dominate between graphene and phosphorene with their intrinsic electronic properties preserved. Furthermore, we found that as the interfacial distance decreases, the Dirac point of graphene moves from the conduction band to the valence band of phosphorene in hybrid graphene and phosphorene nanocomposites, inducing a transition from an n-type Schottky contact to a p-type Schottky contact at the graphene/phosphorene interface.
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