The InSe/SiH type-II van der Waals heterostructure as a promising water splitting photocatalyst: a first-principles study

2020 ◽  
Vol 22 (37) ◽  
pp. 21436-21444
Author(s):  
Wei Sheng ◽  
Ying Xu ◽  
Mingwei Liu ◽  
Guozheng Nie ◽  
Junnian Wang ◽  
...  
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
First Principles ◽  
High Efficiency ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

The type-II band alignment promotes InSe/SiH as a high efficiency photocatalyst for water splitting in visible light.

PtSe2/SiH van der Waals type-II heterostructure: a high efficiency photocatalyst for water splitting

2020 ◽  
Vol 22 (30) ◽  
pp. 17145-17151 ◽  
Author(s):  
Shuaicheng Han ◽  
Yuee Li ◽  
Zhong Wang
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
High Efficiency ◽  
Van Der Waals ◽  
Type Ii ◽  
Highly Efficient ◽  
Van Der Waals Heterostructure

PtSe2/SiH type-II van der Waals heterostructure is a highly efficient photocatalyst for water splitting in visible light.

scholarly journals Type-I band alignment of BX–ZnO (X = As, P) van der Waals heterostructures as high-efficiency water splitting photocatalysts: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (72) ◽  
pp. 44545-44550
Author(s):  
Thi-Nga Do ◽  
M. Idrees ◽  
Nguyen T. T. Binh ◽  
Huynh V. Phuc ◽  
Nguyen N. Hieu ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
High Efficiency ◽  
Van Der Waals ◽  
Band Alignment ◽  
Photocatalytic Properties ◽  
Type I ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

In this work, we perform first-principles calculations to examine the electronic, optical and photocatalytic properties of the BX–ZnO (X = As, P) heterostructures.

MoS2/ZnO van der Waals heterostructure as a high-efficiency water splitting photocatalyst: a first-principles study

2018 ◽  
Vol 20 (19) ◽  
pp. 13394-13399 ◽  
Author(s):  
Sake Wang ◽  
Chongdan Ren ◽  
Hongyu Tian ◽  
Jin Yu ◽  
Minglei Sun
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
High Efficiency ◽  
Van Der Waals ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

The MoS2/ZnO van der Waals heterostructure is a high-efficiency photocatalyst for water splitting.

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

2021 ◽  
Vol 23 (6) ◽  
pp. 3963-3973
Author(s):  
Jianxun Song ◽  
Hua Zheng ◽  
Minxia Liu ◽  
Geng Zhang ◽  
Dongxiong Ling ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

Study of the GaAs/SiH van der Waals type-II heterostructure: a high efficiency photocatalyst promoted by a built-in electric field

2020 ◽  
Vol 22 (16) ◽  
pp. 8565-8571
Author(s):  
Shuaicheng Han ◽  
Yuee Li ◽  
Jian Chai ◽  
Zhong Wang
Keyword(s):  
Electric Field ◽  
Visible Light ◽  
Water Splitting ◽  
High Efficiency ◽  
Van Der Waals ◽  
Type Ii

The built-in electric field promotes GaAs/SiH as a high efficiency photocatalyst for water splitting in visible light.

Two-dimensional type-II g-C3N4/SiP–GaS heterojunctions as water splitting photocatalysts: first-principles predictions

2020 ◽  
Vol 22 (27) ◽  
pp. 15649-15657 ◽  
Author(s):  
Lei Hu ◽  
Wencai Yi ◽  
Tongde Rao ◽  
Jianting Tang ◽  
Chuanbo Hu ◽  
...  
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
First Principles ◽  
Band Alignment ◽  
Type Ii ◽  
Two Dimensional ◽  
Visible Light Driven

The g-C3N4/SiP-α, -β and -γ heterojunctions are all visible-light-driven water splitting photocatalysts with a type-II band alignment.

scholarly journals Electronic and photocatalytic properties of two-dimensional boron phosphide/SiC van der Waals heterostructure with direct type-II band alignment: a first principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (53) ◽  
pp. 32027-32033
Author(s):  
Thi-Nga Do ◽  
M. Idrees ◽  
Bin Amin ◽  
Nguyen N. Hieu ◽  
Huynh V. Phuc ◽  
...  
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Van Der Waals ◽  
Band Alignment ◽  
Photocatalytic Properties ◽  
Type Ii ◽  
Two Dimensional ◽  
Functional Theory ◽  
Boron Phosphide ◽  
Van Der Waals Heterostructure

We investigate the structural, electronic, optical and photocatalytic properties of boron phosphide and SiC monolayers and their corresponding van der Waals heterostructure by density functional theory.

Using van der Waals heterostructures based on two-dimensional blue phosphorus and XC (X = Ge, Si) for water-splitting photocatalysis: a first-principles study

2019 ◽  
Vol 21 (19) ◽  
pp. 9949-9956 ◽  
Author(s):  
Kai Ren ◽  
Chongdan Ren ◽  
Yi Luo ◽  
Yujing Xu ◽  
Jin Yu ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
High Efficiency ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

BlueP/SiC and BlueP/GeC vdW heterostructures are high-efficiency photocatalysts for water-splitting at pH 0 and 7, respectively.

The PtSe2/GaN van der Waals heterostructure photocatalyst with type II alignment: A first-principles study

2021 ◽  
Vol 624 ◽  
pp. 118332 ◽  
Author(s):  
Xianghui Meng ◽  
Yanqing Shen ◽  
Jiajia Liu ◽  
Lingling Lv ◽  
Xin Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Type Ii ◽  
First Principles Study ◽  
Van Der Waals Heterostructure
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