Computational discovery of PtS2/GaSe van der Waals heterostructure for solar energy applications

2021 ◽  
Author(s):  
Rui Xiong ◽  
Rong Hu ◽  
Yinggan Zhang ◽  
Xuhui Yang ◽  
Peng Lin ◽  
...  
Keyword(s):  
Solar Energy ◽  
Van Der Waals ◽  
First Principle ◽  
Energy Applications ◽  
First Principle Calculations ◽  
Van Der Waals Heterostructure ◽  
Computational Discovery

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...

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

RSC Advances ◽  
2019 ◽  
Vol 9 (69) ◽  
pp. 40309-40315 ◽  
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.

A direct Z-scheme PtS2/arsenene van der Waals heterostructure with high photocatalytic water splitting efficiency

Nanoscale ◽  
2020 ◽  
Vol 12 (33) ◽  
pp. 17281-17289 ◽  
Author(s):  
Kai Ren ◽  
Wencheng Tang ◽  
Minglei Sun ◽  
Yongqing Cai ◽  
Yuan Cheng ◽  
...  
Keyword(s):  
Solar Energy ◽  
Water Splitting ◽  
Energy Input ◽  
Van Der Waals ◽  
Environmental Issues ◽  
Great Promise ◽  
Photocatalytic Water Splitting ◽  
Van Der Waals Heterostructure

To overcome current serious energy and environmental issues, photocatalytic water splitting holds great promise because it requires only solar energy as an energy input to produce hydrogen.

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

RSC Advances ◽  
2017 ◽  
Vol 7 (8) ◽  
pp. 4395-4401 ◽  
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.

Blue phosphorene/Sc2CX2 (X = O, F) van der Waals heterostructures as suitable candidates for water-splitting photocatalysts and solar cells

2020 ◽  
Vol 4 (10) ◽  
pp. 5277-5283
Author(s):  
Xiao-Hua Li ◽  
Bao-Ji Wang ◽  
Guo-Dong Wang ◽  
San-Huang Ke
Keyword(s):  
Solar Cells ◽  
Solar Energy ◽  
Dft Calculations ◽  
Water Splitting ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Energy Applications ◽  
Blue Phosphorene

Using DFT calculations, BlueP/Sc2CX2 (X = O, F) heterostructures are found to have great potential in the field of solar energy applications.

The high-power conversion efficiency of two-dimensional GeSe/AsP van der Waals heterostructure for solar energy cells

2021 ◽  
Author(s):  
Hong-Yao Liu ◽  
Chuan-Lu Yang ◽  
Meishan Wang ◽  
Xiano-Guang Ma
Keyword(s):  
Solar Energy ◽  
Power Conversion Efficiency ◽  
Conversion Efficiency ◽  
High Power ◽  
Power Conversion ◽  
Van Der Waals ◽  
Two Dimensional ◽  
High Power Conversion Efficiency ◽  
Van Der Waals Heterostructure ◽  
Efficient Performance

The van der Waals heterostructure is a practical way to promote the conversion efficiency of solar energy. Here, we demonstrate the efficient performance of the GeSe/AsP heterostructure in solar energy...

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