scholarly journals First-principles Study on the Photocatalytic Hydrogen Production of a Novel Two-dimensional Zr2CO2/InS Heterostructure

2020 ◽  
Vol 35 (9) ◽  
pp. 993
Author(s):  
ZHAO Yupeng ◽  
HE Yong ◽  
ZHANG Min ◽  
SHI Junjie
Keyword(s):  
Hydrogen Production ◽  
First Principles ◽  
Two Dimensional ◽  
Photocatalytic Hydrogen Production ◽  
First Principles Study

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.

scholarly journals Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic hydrogen production: a combined experimental and first-principles study

2015 ◽  
Vol 5 (4) ◽  
pp. 2059-2064 ◽  
Author(s):  
Qiyuan Wu ◽  
Shangmin Xiong ◽  
Peichuan Shen ◽  
Shen Zhao ◽  
Yan Li ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
First Principles ◽  
Photocatalytic Hydrogen Production ◽  
First Principles Study ◽  
Pt Cluster ◽  
Production Activity

Here we report the first ever observation of outstanding photocatalytic hydrogen production activity of sub-nm Pt cluster modified CdS nanocatalysts.

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

Small Polarons in Two-Dimensional Pnictogens: A First-Principles Study

2021 ◽  
pp. 4674-4680
Author(s):  
Vasilii Vasilchenko ◽  
Sergey Levchenko ◽  
Vasili Perebeinos ◽  
Andriy Zhugayevych
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study ◽  
Small Polarons

scholarly journals Switchable two-dimensional electrides: A first-principles study

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Xuhui Yang ◽  
Kevin Parrish ◽  
Yan-Ling Li ◽  
Baisheng Sa ◽  
Hongbing Zhan ◽  
...  
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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