Computational design of GeSe/graphene heterojunction based on density functional theory
Computational design of GeSe/graphene heterojunction based on density functional theory
复制标题
基于密度泛函理论的GeSe/石墨烯异质结的计算设计
DOI：
10.1088/2053-1591/aaf5a0
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发表时间：
2018-12
影响因子：
2.3
通讯作者：
Yuliang Mao
中科院分区：
文献类型：
--
作者：
Congsheng Xu;Jianmei Yuan;D;an Wang;Yuliang Mao
Based on density functional theory, we computational designed the hetero junction composed by GeSe monolayer and graphene. The effects of interlayer coupling, strains and electric fields on the electronic structures of the designed GeSe/graphene (G/g) hetero structure are explored. We demonstrated that both the intrinsic electric properties of the GeSe monolayer and graphene are well preserved in G/g hetero structure. It is found that an energy gap of 0.17 eV in graphene is opened by decreasing the interlayer distance in G/g hetero structure. The height of Schottky barrier can be effectively tuned by the interlayer distance between GeSe monolayer and graphene. Moreover, we found that applying in-plane strains and the electric fields perpendicular to the G/g hetero structure can control the Schottky barriers at the G/g interface. Our results predict that the ultra-thin G/g hetero structure can be used as two-dimensional semiconductor-based optoelectronic devices.
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影响因子：
3
作者：
Grimme, Stefan
通讯作者：
Grimme, Stefan
DOI：
10.1039/c6cp90200f
发表时间：
2016-08
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
--
作者：
Biao Liu;Li-juan Wu;Yu-Qing Zhao;Lin-Zhi Wang;M. Cai
通讯作者：
Biao Liu;Li-juan Wu;Yu-Qing Zhao;Lin-Zhi Wang;M. Cai
DOI：
10.1038/s43586-022-00151-5
发表时间：
2014-03
期刊：
Nature Reviews Methods Primers
影响因子：
--
作者：
R. Gorbachev
通讯作者：
R. Gorbachev
影响因子：
3.7
作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD
影响因子：
3.7
作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD