Two-dimensional phosphorus-based binary nanosheets for photocatalyzing water splitting: A first-principles study

2021 ◽  
pp. 138594
Author(s):  
Yinan Dong ◽  
Xiaodong Lv ◽  
Linke Yu ◽  
Fengyu Li ◽  
Jian Gong
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Two-dimensional penta-Sn3H2 monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (21) ◽  
pp. 11799-11806 ◽  
Author(s):  
Peng Zhang ◽  
Xibin Yang ◽  
Wei Wu ◽  
Lifen Tian ◽  
Daxi Xiong ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Two Dimensional ◽  
Photocatalytic Water Splitting ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Potential Applications

Exploring two-dimensional materials with novel properties is becoming particularly important due to their potential applications in future electronics and optoelectronics.

Two-dimensional multilayer M2CO2(M = Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study

2017 ◽  
Vol 5 (47) ◽  
pp. 24972-24980 ◽  
Author(s):  
Cen-Feng Fu ◽  
Xingxing Li ◽  
Qiquan Luo ◽  
Jinlong Yang
Keyword(s):  
Hydrogen Production ◽  
Water Splitting ◽  
First Principles ◽  
Theoretical Study ◽  
Two Dimensional ◽  
First Principles Study

Theoretical study on two-dimensional multilayered MXenes for hydrogen production from water splitting.

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.

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...

scholarly journals High stability and visible-light photocatalysis in novel two-dimensional monolayer silicon and germanium mononitride semiconductors: first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (24) ◽  
pp. 14225-14234
Author(s):  
Kaining Zhang ◽  
Nan Li
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
First Principles ◽  
High Stability ◽  
Visible Light Photocatalysis ◽  
Two Dimensional ◽  
First Principles Study ◽  
Silicon And Germanium

The two-dimensional SiN and GeN semiconductors are expected to become novel photocatalysts for water-splitting.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽  
2021 ◽  
Vol 11 (42) ◽  
pp. 26432-26443
Author(s):  
Chol-Hyok Ri ◽  
Yun-Sim Kim ◽  
Un-Gi Jong ◽  
Yun-Hyok Kye ◽  
Se-Hun Ryang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
Potassium Iodide ◽  
Solid Solutions ◽  
First Principles ◽  
Lead Free ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

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