Strain-tunable electronic and optical properties in two dimensional GaSe/g-C3N4 van der Waals heterojunction as photocatalyst for water splitting

Wang, Biao; Wang, Guangzhao; Yuan, Hongkuan; Kuang, Anlong; Chang, Junli; Huang, Yuhong; Chen, Hong

doi:10.1016/j.physe.2019.113896

Cited by 23 publications

(20 citation statements)

References 51 publications

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“…[76] Apart from the external electric field, strain is also an important means to modulate the electronic properties of vdWHs. [77,78] Here, we apply vertical strain perpendicular to the heterojunction interface by changing the interlayer distance of the balanced heterojunction, and study the change of E b with different interlayer distances and the effect of vertical strain on the electronic properties of the Bi 2 Se 3 /MoSe 2 vdWH. We mark it Δd ¼ d À d 0 , d 0 and d representing the initial interlayer distance and the interlayer distance under vertical strain, respectively.…”

Section: The Effects Of External Electric Field and Vertical Strain O...mentioning

confidence: 99%

First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction

Liu

et al. 2021

Physica Status Solidi (b)

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MoSe2 and Bi2Se3 are two kinds of 2D materials that are gradually receiving more attention because of their unique electronic and optical properties. Herein, a Bi2Se3/MoSe2 van der Waals heterojunction (vdWH) is constructed and the electronic and optical properties of the heterojunction are calculated using first‐principles calculations. The effects of the external electric field and the interlayer distance on the electronic properties of the heterojunction are also studied. The calculated results show that the inherent Bi2Se3/MoSe2 vdWH has a type‐2 band alignment with a very small indirect bandgap (28 meV). It also has strong spin–orbit coupling effects, and the characteristics of Zeeman splitting and Rashba splitting are observed at the same time. Both applying an external electric field and changing the interlayer distance can effectively modulate the band structure of the heterojunction; these modulation methods can change the band alignment of the vdWH from type‐2 to type‐3 or even type‐1, and the bandgap type can be changed from indirect to direct. The infrared absorption of the heterojunction is much higher than that of Bi2Se3 and MoSe2. All the calculation results show that the Bi2Se3/MoSe2 vdWH has good application prospects in optoelectronic and spintronic devices.

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Section: The Effects Of External Electric Field and Vertical Strain O...mentioning

confidence: 99%

First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction

Liu

et al. 2021

Physica Status Solidi (b)

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“…In order to easily fabricate high-efficiency semiconductor catalysts, it is considered to use InS monolayer as a substrate, and another isomorphic semiconductor is selected to construct a heterostructure together. As another III–VI chalcogenide, GaSe also shows great potential in the field of optoelectronics. − What’s more important is that InS and GaSe have been successfully synthesized in experiments. Single crystal GaSe can be prepared on a single crystal silicon substrate by the chemical vapor deposition (CVD) or atomic layer deposition (ALD) method. , Because of the same crystal type and similar lattice parameters, GaSe and InS nanosheets can be prepared by replacing the reaction source gas and forming films by CVD twice.…”

mentioning

confidence: 99%

P Doping Promotes the Spontaneous Visible-Light-Driven Photocatalytic Water Splitting in Isomorphic Type II GaSe/InS Heterostructure

Zhang

Yin

2021

J. Phys. Chem. Lett.

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The development and design of clean and efficient water splitting photocatalysts is important for the current situation of energy shortage and environmental pollution. A new type of isomorphic GaSe/InS heterostructure is constructed, and the optoelectronic properties were studied through first-principles calculations. The results show that GaSe/InS vdW heterostructure is a type II semiconductor with a band gap of 2.09 eV. However, through the analysis of the energy band edge position and Gibbs free energy change of water splitting, it is found that the GaSe/InS heterostructure is difficult to undergo overall water splitting. Therefore, nonmetallic element P doping is considered, the established P-doped GaSe/InS (P-GaSe/InS) heterostructure could maintain the type II band arrangement, and under acidic conditions, P-GaSe/InS heterostructure could spontaneously undergo overall water splitting thermodynamically. Furthermore, the low exciton binding energy of P-GaSe/InS heterostructure highlights better light absorption performance. Therefore, these findings indicate that P-GaSe/InS heterostructure is a promising photocatalyst in overall water splitting.

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“…Secondly, the introduction of a novel gain mechanism that is different from the photogating effect could be an optional method so as to reduce the negative impact on the device operating speed and to promote mid‐infrared band light absorption. Thirdly, it has been demonstrated that by introducing external modifications, such as quantum confinement, [ 101–105 ] pressure, [ 106–109 ] mechanical strain [ 110–118 ] , and chemical doping means, [ 119–123 ] can significantly extend the spectral response of 2D materials, and tune the performance of 2D materials based photodetectors.…”

Section: Methods To Improve the Device Performancementioning

confidence: 99%

Research development of 2D materials based photodetectors towards mid‐infrared regime

Wang

Shu

et al. 2020

Nano Select

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High performance mid‐infrared photodetectors play an irreplaceable role in optical communication, security monitoring, biological, and medical imaging and so on. Two‐dimensional (2D) materials have demonstrated great potential for infrared photodetection application. In recent years, the research on 2D materials based mid‐infrared photodetectors has underwent a fast growth. In this review, we summarize recent advances in the 2D materials based photodetectors, with an emphasis on mid‐infrared photodetection. In the first section, we start with a brief discussion on the potential advantages of 2D materials for mid‐infrared photodetection. Next, we focus on the development of 2D mid‐infrared photodetectors, and then discuss the challenges of this rapidly‐growing field. Following this, we review the solutions for improving the device performances and point out the issues remained to be solved. Finally, the future directions in this area are discussed and general advices are provided for the future development of high‐performance mid‐infrared photodetectors based on 2D materials.

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Strain-tunable electronic and optical properties in two dimensional GaSe/g-C3N4 van der Waals heterojunction as photocatalyst for water splitting

Cited by 23 publications

References 51 publications

First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction

First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction

P Doping Promotes the Spontaneous Visible-Light-Driven Photocatalytic Water Splitting in Isomorphic Type II GaSe/InS Heterostructure

Research development of 2D materials based photodetectors towards mid‐infrared regime

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Strain-tunable electronic and optical properties in two dimensional GaSe/g-C3N4 van der Waals heterojunction as photocatalyst for water splitting

Cited by 23 publications

References 51 publications

First‐Principles Study of the Electronic and Optical Properties of Bi2Se3/MoSe2 Heterojunction

First‐Principles Study of the Electronic and Optical Properties of Bi2Se3/MoSe2 Heterojunction

P Doping Promotes the Spontaneous Visible-Light-Driven Photocatalytic Water Splitting in Isomorphic Type II GaSe/InS Heterostructure

Research development of 2D materials based photodetectors towards mid‐infrared regime

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First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction

First‐Principles Study of the Electronic and Optical Properties of Bi₂Se₃/MoSe₂ Heterojunction