Two-dimensional penta-SiAs2: a potential metal-free photocatalyst for overall water splitting

2020 ◽  
Vol 8 (34) ◽  
pp. 11980-11987
Author(s):  
Kai Zheng ◽  
Heping Cui ◽  
Houcai Luo ◽  
Jiabing Yu ◽  
Shaogang Wang ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Metal Free ◽  
Overall Water Splitting

We thoroughly investigated the photocatalytic performance of novel 2D penta-SiAs2 as an efficient photocatalyst based on first-principles calculations.

Two-dimensional few-layer group-III metal monochalcogenides as effective photocatalysts for overall water splitting in the visible range

2018 ◽  
Vol 6 (45) ◽  
pp. 22768-22777 ◽  
Author(s):  
Yu Cui ◽  
Lei Peng ◽  
Liping Sun ◽  
Qi Qian ◽  
Yucheng Huang
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Visible Range ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Group Iii ◽  
Overall Water Splitting ◽  
Photocatalytic Performances

Using first-principles calculations, the photocatalytic performances of two dimensional (2D) few-layer group-III metal monochalcogenides MXs (M = Ga, In; X= S, Se) towards overall water splitting reaction are systematically investigated.

SIn2Te/TeIn2Se: a type-II heterojunction as water-splitting photocatalyst with high solar energy harvesting

2021 ◽  
Author(s):  
Peishen Shang ◽  
Chunxiao Zhang ◽  
Mengshi Zhou ◽  
Chaoyu He ◽  
Tao Ouyang ◽  
...  
Keyword(s):  
Energy Harvesting ◽  
Solar Energy ◽  
Water Splitting ◽  
First Principles ◽  
Type Ii ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Solar Energy Harvesting ◽  
Renewable Hydrogen

Searching for photocatalysts is crucial for the production of renewable hydrogen from water. Two-dimensional (2D) vdW heterojunctions show great potential. Using first- principles calculations within the HSE06 functional, we propose...

A two-dimensional h-BN/C2N heterostructure as a promising metal-free photocatalyst for overall water-splitting

2020 ◽  
Vol 22 (42) ◽  
pp. 24446-24454 ◽  
Author(s):  
Guangzhao Wang ◽  
Zongfeng Li ◽  
Weikang Wu ◽  
Hao Guo ◽  
Cong Chen ◽  
...  
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
Type Ii ◽  
Two Dimensional ◽  
Light Water ◽  
Metal Free ◽  
Overall Water Splitting

A metal-free type-II h-BN/C2N heterostructure is shown as a potential visible light water-splitting photocatalyst.

Exploring the mechanism of Ta3N5/KTaO3 photocatalyst for overall water splitting by first-principles calculations

2021 ◽  
Vol 56 ◽  
pp. 353-364
Author(s):  
Yanxia Ma ◽  
Yumeng Fo ◽  
Miaomiao Wang ◽  
Xixi Liang ◽  
Hao Dong ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
First Principles Calculations ◽  
Overall Water Splitting

scholarly journals First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32996-33003
Author(s):  
S. S. Ullah ◽  
M. Farooq ◽  
H. U. Din ◽  
Q. Alam ◽  
M. Idrees ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Promising Candidate ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
Van Der Waals Heterostructure

The two dimensional GaN–SiS van der Waals heterostructure is a promising candidate for optoelectronic and photocatalytic water splitting.

First-principles study of two-dimensional NbSe2H/g-ZnO van der Waals heterostructures as a water splitting photocatalyst

2021 ◽  
Author(s):  
Keat Hoe Yeoh ◽  
Khian-Hooi Chew ◽  
Tiem Leong Yoon ◽  
Robin Chang Yee Hui ◽  
Duu Sheng Ong
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Van Der Waals ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Vdw Heterostructure

Based on first-principles calculations, we propose a new two-dimensional (2D) van der Waal (vdW) heterostructure that can be used as a photocatalyst for water splitting. The heterostructure consists of vertically...

Landscape of DNA-like inorganic metal free double helical semiconductors and potential applications in photocatalytic water splitting

2017 ◽  
Vol 5 (18) ◽  
pp. 8484-8492 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Mengmeng Li ◽  
Lin Yu ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
First Principles Calculations ◽  
Photocatalytic Water Splitting ◽  
Metal Free ◽  
Potential Applications

A novel family of DNA-like inorganic metal free structures are systematically investigated by using first principles calculations.

Metal-free highly efficient photocatalysts for overall water splitting: C3N5 multilayers

Nanoscale ◽  
2020 ◽  
Vol 12 (1) ◽  
pp. 306-315 ◽  
Author(s):  
Siyun Qi ◽  
Yingcai Fan ◽  
Junru Wang ◽  
Xiaohan Song ◽  
Weifeng Li ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Metal Free ◽  
Highly Efficient ◽  
Overall Water Splitting ◽  
High Efficient ◽  
Redox Ability

We demonstrated from first-principles the C3N5 multilayers as high-efficient photocatalysts for overall water splitting. The redox ability of the photogenerated carriers is high enough to drive HER and OER without using sacrificial reagents.

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