Optoelectronic response and interlayer exciton features of MoS2/WS2 Van der Waals heterostructure within first principle calculations and Wannier Mott model

2D van der Waals (vdW) heterostructures as potential materials for solar energy-related applications have been brought to the forefront for researchers. Here, by employing first-principle calculations, we proposed that PtS2/GaSe...

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Van der Waals heterostructure of graphene Defected&Doped X(X = Au, N) composite ZnO monolayer: A First Principle study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.106247 ◽

2022 ◽

Vol 138 ◽

pp. 106247

Author(s):

Aina Gong ◽

Tao Shen ◽

Yue Feng ◽

Jiaojiao Chen ◽

Zhenjia Wang

Keyword(s):

Van Der Waals ◽

First Principle ◽

Van Der Waals Heterostructure

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Theoretical investigation of the vertical dielectric screening dependence on defects for few-layered van der Waals materials

RSC Advances ◽

10.1039/c9ra07700f ◽

2019 ◽

Vol 9 (69) ◽

pp. 40309-40315 ◽

Cited By ~ 3

Author(s):

Amit Singh ◽

Seunghan Lee ◽

Hyeonhu Bae ◽

Jahyun Koo ◽

Li Yang ◽

...

Keyword(s):

Dielectric Properties ◽

Theoretical Investigation ◽

Van Der Waals ◽

First Principle ◽

First Principle Calculations ◽

Dielectric Screening ◽

Van Der Waals Materials

First-principle calculations were employed to analyze the effects induced by vacancies of molybdenum (Mo) and sulfur (S) on the dielectric properties of few-layered MoS2.

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First principle calculations of photocatalytic properties of bismuth oxyhalides considering van der Waals correction

2016 IEEE International Conference on Electro Information Technology (EIT) ◽

10.1109/eit.2016.7535283 ◽

2016 ◽

Cited By ~ 1

Author(s):

Shuhao Wu ◽

Dingxin Wu

Keyword(s):

Van Der Waals ◽

Photocatalytic Properties ◽

First Principle ◽

First Principle Calculations ◽

Bismuth Oxyhalides

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Mechanism of enhancing visible-light photocatalytic activity of BiVO4via hybridization of graphene based on a first-principles study

RSC Advances ◽

10.1039/c6ra25721f ◽

2017 ◽

Vol 7 (8) ◽

pp. 4395-4401 ◽

Cited By ~ 16

Author(s):

Yuxuan Chen ◽

Xinguo Ma ◽

Di Li ◽

Huihu Wang ◽

Chuyun Huang

Keyword(s):

Photocatalytic Activity ◽

Visible Light ◽

First Principles ◽

Van Der Waals ◽

Van Der Waals Interactions ◽

Interface Properties ◽

First Principle ◽

Dispersion Correction ◽

First Principle Calculations ◽

Visible Light Photocatalytic

The interface properties of the hybrid graphene/BiVO4(001) heterojunction were investigated by first-principle calculations incorporating semiempirical dispersion-correction schemes to describe correctly van der Waals interactions.

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