van der Waals heterostructures based on allotropes of phosphorene and MoSe<sub>2</sub>

Kaur, Sumandeep; Kumar, Ashok; Srivastava, Sunita; Tankeshwar, K.

doi:10.1039/c7cp03960c

Cited by 40 publications

(20 citation statements)

References 43 publications

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“…It indicated that they possess an inherent electric dipole moment with magnitude 0.075 V/Å and 0.025 V/Å respectively, whose direction depends on materials internal electrostatic potential. Surprisingly, magnitude of electric field causing phase transition of PN/PAs-WSe 2 heterostructures are much smaller than recently reported BP-MoSe 2 vdW heterostructure of 1 V/Å 23 and BP-MoSSe vdW heterostructure of 0.8 V/Å 22 . The projected band structures of the PN-WSe 2 vdW heterostructures with different electrical field are presented from Fig.…”

Section: Resultscontrasting

confidence: 63%

PN/PAs-WSe2 van der Waals heterostructures for solar cell and photodetector

Zheng

Wei

Pang

et al. 2020

Sci Rep

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By first-principles calculations, we investigate the geometric stability, electronic and optical properties of the type-II PN-WSe2 and type-I PAs-WSe2 van der Waals heterostructures(vdWH). They are p-type semiconductors with indirect band gaps of 1.09 eV and 1.08 eV based on PBE functional respectively. By applying the external gate field, the PAs-WSe2 heterostructure would transform to the type-II band alignment from the type-I. With the increasing of magnitude of the electric field, two heterostructures turn into the n-type semiconductors and eventually into metal. Especially, PN/PAs-WSe2 vdWH are both high refractive index materials at low frequencies and show negative refractive index at high frequencies. Because of the steady absorption in ultraviolet region, the PAs-WSe2 heterostructure is a highly sensitive UV detector material with wide spectrum. The type-II PN-WSe2 heterostructure possesses giant and broadband absorption in the near-infrared and visible regions, and its solar power conversion efficiency of 13.8% is higher than the reported GaTe–InSe (9.1%), MoS2/p-Si (5.23%) and organic solar cells (11.7%). It does project PN-WSe2 heterostructure a potential for application in excitons-based solar cells.

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Section: Resultscontrasting

confidence: 63%

PN/PAs-WSe2 van der Waals heterostructures for solar cell and photodetector

Zheng

Wei

Pang

et al. 2020

Sci Rep

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“…Monolayer green-P is a semiconductor with a direct bandgap of ~1.35 eV. The direct nature of the bandgap is preserved on moving from monolayer to bilayer but the magnitude of bandgap decreases to 1.17 It is well known that electric field and pressure can effectively tune the electronic properties of 2D materials [35,36]. On applying perpendicular electric field in bilayer green phosphorene, a systematic shift in both VBM and CBM has been found [Figure 3 is feasible in real experimental situation.…”

Section: Effect Of Thickness Electric Field and Pressure On Band Gapmentioning

confidence: 99%

Monolayer, Bilayer, and Heterostructures of Green Phosphorene for Water Splitting and Photovoltaics

et al. 2018

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We report the results of density functional theory (DFT) based calculations on monolayer and bilayer green phosphorene and their heterostructures with MoSe2. Both monolayer and bilayer green phosphorene are direct band gap semiconductors and possess anisotropic carrier mobility as high as 10 4 cm 2 V -1 s -1 . In bilayers, pressure of about 9 GPa induces the semiconductor-metal transition. Moreover, the band gap depends strongly on the thickness of the films and the external electric field. By employing strain-engineering under suitable solution conditions, monolayer and AC-stacked bilayer green phosphorene offer the band edge alignments which can be used for water splitting. The upper limit of the power conversion efficiencies for monolayer, AB-and AC-stacked bilayer green phosphorene heterostructures with MoSe2 is calculated to be 18-21 %. Our results show the possibility of green phosphorene to be used as photocatalytic and photovoltaic material in the energy-related applications.

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“…38 It has well-built physical anisotropy and high conductance that nds applications in the eld of nano-electronics and optoelectronics. 39 Not only multi-layered but single-layered black phosphorene have also been successfully exfoliated. 9,[40][41][42] Previous research works have shown that black phosphorene has good carrier mobility and has direct bandgap.…”

Section: Introductionmentioning

confidence: 99%