Investigation of the electronic structure of two-dimensional GaN/Zr2CO2 hetero-junction: Type-II band alignment with tunable bandgap

Zhu, Xue Ting; Xu, Ying; Cao, Yong; Zhao, Yingying; Wei, Sheng; Nie, Guozheng; Ao, Zhimin

doi:10.1016/j.apsusc.2020.148505

Cited by 32 publications

(15 citation statements)

References 75 publications

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“…The optimized lattice parameters of the MoSSe and InS monolayers are a = b = 3.25 Å and a = b = 3.94 Å respectively. The results are consistent with the previous reported results ( Zhu et al, 2021 ; Hollingsworth et al, 2000 ; Guo et al, 2021b ). Taking into account the lattice mismatch, we constructed a 2 × 2 MoSSe supercell and a √3×√3 InS supercell to form the MoSSe/InS vdWH to achieve a small lattice mismatch value of 4.8%.…”

Section: Resultssupporting

confidence: 94%

“…M. M. Obeid and others revealed that GaSe/HfS 2 heterostructures have high carrier mobility and can be converted from semiconductor to metal and from indirect band gap to direct band gap when the external electric field is strengthened ( Obeid et al, 2020 ). Zhu et al found that GaN/Zr 2 CO 2 heterostructure has a promising application in tunable high-performance optoelectronic nanodevices due to its large conduction band offset (CBO) and tunable band gap ( Zhu et al, 2021 ). Zhang et al proved that P-GaSe/InS isomorphous heterostructure has excellent performance as a photocatalytic and water splitting material ( Zhang et al, 2021 ).…”

Section: Introductionmentioning

confidence: 99%

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Type-II Band Alignment and Tunable Optical Absorption in MoSSe/InS van der Waals Heterostructure

et al. 2022

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In this work, we study the electronic structure, the effective mass, and the optical properties of the MoSSe/InS van der Waals heterostructures (vdWHs) by first-principles calculations. The results indicate that the MoSSe/InS vdWH is an indirect band gap semiconductor and has type-Ⅱ band alignment in which the electrons and holes located at the InS and the MoSSe side, respectively. The band edge position, the band gap and the optical absorption of the MoSSe/InS vdWH can be tuned when biaxial strains are applied. In addition, compared with MoSSe and InS monolayers, the optical absorption of the MoSSe/InS vdWH is improved both in the visible and the ultraviolet regions. These findings indicate that the MoSSe/InS vdWHs have potential applications in optoelectronic devices.

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Section: Resultssupporting

confidence: 94%

Section: Introductionmentioning

confidence: 99%

Type-II Band Alignment and Tunable Optical Absorption in MoSSe/InS van der Waals Heterostructure

et al. 2022

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“…Shortly, the type I junction works similar as a photovoltaic cell mechanism where the charge carriers are involved in redox reactions [12,13]. The type II junction uses the potential difference between the components to separate the photogenerated charges, preventing subsequent recombination [14,15]. The Schottky junctions benefits from the semiconductor-metal interface that is able to induce an effective mechanism to reduce charge carriers recombination and to increase the spectral light absorption [16,17].…”

Section: Introductionmentioning

confidence: 99%

Photocatalytic Activity of S-Scheme Heterostructure for Hydrogen Production and Organic Pollutant Removal: A Mini-Review

Eneşca

Andronic

2021

Nanomaterials

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Finding new technologies and materials that provide real alternatives to the environmental and energy-related issues represents a key point on the future sustainability of the industrial activities and society development. The water contamination represents an important problem considering that the quantity and complexity of organic pollutant (such as dyes, pesticides, pharmaceutical active compounds, etc.) molecules can not be efficiently addressed by the traditional wastewater treatments. The use of fossil fuels presents two major disadvantages: (1) environmental pollution and (2) limited stock, which inevitably causes the energy shortage in various countries. A possible answer to the above issues is represented by the photocatalytic technology based on S-scheme heterostructures characterized by the use of light energy in order to degrade organic pollutants or to split the water molecule into its components. The present mini-review aims to outline the most recent achievements in the production and optimization of S-scheme heterostructures for photocatalytic applications. The paper focuses on the influence of heterostructure components and photocatalytic parameters (photocatalyst dosage, light spectra and intensity, irradiation time) on the pollutant removal efficiency and hydrogen evolution rate. Additionally, based on the systematic evaluation of the reported results, several perspectives regarding the future of S-scheme heterostructures were included.

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“…Importantly, it has been reported that the AlN films can be prepared on 6H–SiC substrates by various sputtering pressures by RF reactive magnetron sputtering ( Kuang et al, 2012 ) and the AlN nanowires was also has been synthetized ( Xu et al, 2003 ), which demonstrated the preparation method for AlN monolayer. At the same time, the Zr 2 CO 2 as a MXene materials has been studied extensively to form vdW heterostructure ( Zhu et al, 2021b ). InSe/Zr 2 CO 2 heterostructure possesses unique electron mobility (about 10 4 cm 2 /V·s) as a photocatalyst ( He et al, 2019 ).…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr2CO2 Heterostructure

et al. 2021

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Recently, expanding the applications of two-dimensional (2D) materials by constructing van der Waals (vdW) heterostructures has become very popular. In this work, the structural, electronic and optical absorption performances of the heterostructure based on AlN and Zr2CO2 monolayers are studied by first-principles simulation. It is found that AlN/Zr2CO2 heterostructure is a semiconductor with a band gap of 1.790 eV. In the meanwhile, a type-I band structure is constructed in AlN/Zr2CO2 heterostructure, which can provide a potential application of light emitting devices. The electron transfer between AlN and Zr2CO2 monolayer is calculated as 0.1603 |e| in the heterostructure, and the potential of AlN/Zr2CO2 heterostructure decreased by 0.663 eV from AlN layer to Zr2CO2 layer. Beisdes, the AlN/Zr2CO2 vdW heterostructure possesses excellent light absorption ability of in visible light region. Our research provides a theoretical guidance for the designing of advanced functional heterostructures.

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Investigation of the electronic structure of two-dimensional GaN/Zr2CO2 hetero-junction: Type-II band alignment with tunable bandgap

Cited by 32 publications

References 75 publications

Type-II Band Alignment and Tunable Optical Absorption in MoSSe/InS van der Waals Heterostructure

Type-II Band Alignment and Tunable Optical Absorption in MoSSe/InS van der Waals Heterostructure

Photocatalytic Activity of S-Scheme Heterostructure for Hydrogen Production and Organic Pollutant Removal: A Mini-Review

Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr2CO2 Heterostructure

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