Tunable electronic properties of an Sb/InSe van der Waals heterostructure by electric field effects
文献信息
Zhihui Zhang, Yan Zhang, Zifeng Xie, Xing Wei, Tingting Guo, Jibin Fan, Lei Ni, Ye Tian, Jian Liu, Li Duan
The electronic properties of an Sb/InSe heterostructure are investigated by using the density functional theory method. A type-II staggered-gap band alignment is achieved from the Sb/InSe vdW heterostructure with the Sb layer dominates the lowest energy holes as well as the lowest energy electrons are contributed by the InSe layer, which facilitates the spatial effective separation of photogenerated electron–hole pairs. Additionally, an indirect–direct band gap transition can be triggered via varying the interlayer distance. More fascinatingly, the characteristic of type-II band alignment is robust, while the band gap values are tunable with respect to a moderate external electric field, even leading to an intriguing semiconductor–metal transition at a strong electric field. These results are expected to provide meaningful guidelines for the design of novel nanoelectronic and optoelectronic devices based on the Sb/InSe heterostructure.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.


![[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate structure [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate structure](https://cnstatic.chemtradehub.com/structs/100/100431-55-8-7104.webp)

