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.

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.

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.

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.

Effects of doping on photocatalytic water splitting activities of PtS2/SnS2 van der Waals heterostructure

2021 ◽  
Author(s):  
Liang Zhu ◽  
Yu-Feng Ding ◽  
Wei-Jun Yang ◽  
Shuang-Feng Yin ◽  
Meng-Qiu Cai
Keyword(s):  
Water Splitting ◽  
High Efficiency ◽  
Van Der Waals ◽  
Environmental Problems ◽  
Photocatalytic Water Splitting ◽  
Promising Technology ◽  
Van Der Waals Heterostructure

Photocatalytic water splitting is a promising technology to solve serious energy and environmental problems. PtS2 monolayer is previously predicted to be a water splitting photocatalyst. But the high efficiency of...

scholarly journals Adjusting the electronic properties and contact types of graphene/F-diamane-like C4F2 van der Waals heterostructure: a first principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 37981-37987
Author(s):  
Thi-Nga Do ◽  
Son-Tung Nguyen ◽  
Cuong Q. Nguyen
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

We perform a first principles study to investigate the atomic structure, electronic properties and contact types of the graphene/F-diamane-like C4F2 heterostructure.

The strain effect on the electronic properties of the MoSSe/WSSe van der Waals heterostructure: a first-principles study

2020 ◽  
Vol 22 (9) ◽  
pp. 4946-4956 ◽  
Author(s):  
Wenyu Guo ◽  
Xun Ge ◽  
Shoutian Sun ◽  
Yiqun Xie ◽  
Xiang Ye
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Strain Effect ◽  
Vertical Strain ◽  
First Principles Study ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, mechanical and electronic properties of the MoSSe/WSSe van der Waals (vdW) heterostructure under various degrees of horizontal and vertical strain are systematically investigated based on first-principles methods.

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