Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 37, Pages 25869-25878Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp04508a
Keywords
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Funding
- National Natural Science Foundation of China [11274096]
- University key science research project of the Henan Province [16A140043]
- Foundation for Key problems in science and technology of Henan Province [162102210068]
- High Performance Computing Center of Henan Normal University
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Using first-principles calculations, we studied the anisotropic electronic transport properties of pristine and X-doped phosphorene (X = B, Al, Ga, C, Si, Ge, N, As, O, S, and Se atoms). The results show that doping different elements can induce obviously different electronic transport characteristics. Moreover, isovalent doping maintains semiconducting characteristics and anisotropic transport properties, while group IV and VI atoms doping can induce metal properties. Meanwhile, Al and Ga substituting P decrease the anisotropic behaviors of transport, and other atom doping still preserves anisotropic characteristics. Interestingly, obvious negative differential resistance behaviors can be observed in C, Si, Ge, O, S, and Se-doped phosphorene.
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