Strain-tunable band alignment and band gap of GaSe/WTe2 heterojunction for water splitting and light-emitting

Feng, Qingyi; Deng, Hongxiang; Yang, Hongdong; Ke, Sha-Sha; Lv, Haijun; Li, Li; Zu, Xiaotao

doi:10.1016/j.rinp.2021.104605

Cited by 18 publications

(6 citation statements)

References 51 publications

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“…Typically, band gaps estimated with DFT are smaller than the experimental values, not surprisingly because DFT solves the electronic ground state problem [57]. Similar results showed similar results in the strain-tunable light-emitting device [58]. Zu et al, showed that first-principles calculations reveal a GaSe/WTe 2 heterojunction with a direct bandgap of 1.13 eV.…”

Section: Structural Optimization Electronic Bandgap Structure and Den...mentioning

confidence: 72%

Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

Basyooni¹,

Zaki²,

Tihtih³

et al. 2022

J. Phys.: Condens. Matter

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The application of the photonic superlattice in advanced photonics has become a demanding field, especially for two-dimensional and strongly correlated oxides. Because it experiences an abrupt metal-insulator transition (MIT) near ambient temperature, where the electrical resistivity varies by orders of magnitude, vanadium oxide (VO2) shows potential as a building block for infrared switching and sensing devices. We reported a first principle study of superlattice structures of VO2 as a strongly correlated phase transition material and tungsten diselenide (WSe2) as a 2-dimensional transition metal dichalcogenide (TMD) layer. Based on first-principles calculations, we exploit the effect of semiconductor monoclinic and metallic tetragonal state of VO2 with WSe2 in a photonic superlattices structure through the near and mid-infrared (NIR-MIR) thermochromic phase transition regions. By increasing the thickness of the VO2 layer, the photonic bandgap (PhB) gets red-shifted. We observed linear dependence of the PhB width on the VO2 thickness. For the monoclinic case of VO2, the number of the forbidden bands increases with the number of layers of WSe2. New forbidden gaps are preferred to appear at a slight angle of incidence, and the wider one can predominate at larger angles. We presented an efficient way to control the flow of the NIR-MIR in both summer and winter environments for phase transition and photonic thermochromic applications. This study's findings may help understand vanadium oxide's role in tunable photonic superlattice for infrared switchable devices and optical filters.

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Section: Structural Optimization Electronic Bandgap Structure and Den...mentioning

confidence: 72%

Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

Basyooni¹,

Zaki²,

Tihtih³

et al. 2022

J. Phys.: Condens. Matter

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“…1 Among them, GaSe has aroused increasing interest on account of its excellent stability and moderate band gap, and is widely employed in electronic appliances, nonlinear optics and solar energy conversion devices. 2,3 Theoretical and experimental works have indicated that 2D GaSe may be a suitable candidate for photocatalysts. 4 Nonetheless, the relatively low absorption of visible light and its large band gap have hindered the widespread application of GaSe as a promising photocatalyst.…”

Section: Introductionmentioning

confidence: 99%

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga₂SSe)/MoS₂(MoSSe) heterojunctions

Li,

Ren,

et al. 2023

J. Mater. Chem. C

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“…Layered group-III–VI monochalcogenides (M III X VI , M III = Ga and In; X IV = S, Se, and Te) have received particular attention because of their widespread use in optics and electronics. , As a result, a novel class of layered monochalcogenides, semiconducting post transition-metal chalcogenides, has recently been explored and piqued researchers’ attention due to their broad band gap variation. − Recently, the scientific community’s growing emphasis on layered materials has led in innovative advances in the fields of photonics, electronics, valleytronics, and spintronics. − …”

Section: Introductionmentioning

confidence: 99%

“…GaSe is a layered semiconducting material, which belongs to the family of metal monochalcogenides. Its photoelectric properties are dependent on the layer number, possessing a direct band gap in bulk (with a band gap energy E g = 2 eV) and a quasi-direct band gap in monolayer ( E g = 4 eV), and it has the hexagonal structure. − The thickness of GaSe monolayer is of 0.98 nm, with a lattice constant of 0.374 nm, and consisted of a four-atom Se-Ga-Ga-Se sequence. A strong covalent bonding exists in intralayer planes, whereas the weak van der Waals (vdW) bonding exists between interlayer planes.…”

Section: Introductionmentioning

confidence: 99%

Raman Scattering and Exciton Photoluminescence in Few-Layer GaSe: Thickness- and Temperature-Dependent Behaviors

et al. 2022

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The optical properties of few-layer (FL) GaSe are investigated using thickness-and temperature-dependent Raman scattering and photoluminescence (PL) spectroscopies. The vibrational modes exhibit linear softening with increasing temperature, with temperature coefficient values related to anharmonic phonon− phonon/electron coupling. Micro-PL is used to study the variation of exciton bands and structural features of FL GaSe. The temperature-dependent study from 100 to 380 K shows that the PL red-shifts due to a band gap narrowing, while the intensity decreases attributable to thermally stimulated nonradiative recombination caused by an increase in the electron−phonon interaction. The behavior of free and bound excitons and deep defect PL with temperature is studied by fitting the PL spectra with modeling equations. This enables the evaluation of their quenching activation energies and other significant aspects. The exciton binding energy of 0.3 eV has been calculated for the excitons in 10L GaSe. These novel findings extend the knowledge on the variety of exciton and deep defect levels in 2D GaSe and are important for its future applications in nano-optoelectronics involving external influence of optical properties.

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Strain-tunable band alignment and band gap of GaSe/WTe2 heterojunction for water splitting and light-emitting

Cited by 18 publications

References 51 publications

Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga₂SSe)/MoS₂(MoSSe) heterojunctions

Raman Scattering and Exciton Photoluminescence in Few-Layer GaSe: Thickness- and Temperature-Dependent Behaviors

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Strain-tunable band alignment and band gap of GaSe/WTe2 heterojunction for water splitting and light-emitting

Cited by 18 publications

References 51 publications

Photonic bandgap engineering in (VO2) n /(WSe2) n photonic superlattice for versatile near- and mid-infrared phase transition applications

Photonic bandgap engineering in (VO2) n /(WSe2) n photonic superlattice for versatile near- and mid-infrared phase transition applications

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga2SSe)/MoS2(MoSSe) heterojunctions

Raman Scattering and Exciton Photoluminescence in Few-Layer GaSe: Thickness- and Temperature-Dependent Behaviors

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Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

Photonic bandgap engineering in (VO₂)_n/(WSe₂)_n photonic superlattice for versatile near- and mid-infrared phase transition applications

First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga₂SSe)/MoS₂(MoSSe) heterojunctions