First principles study of the Ag nanoclusters adsorption effect on the photocatalytic properties of AgBr(1 1 0) surface

2018 ◽  
Vol 440 ◽  
pp. 907-915 ◽  
Author(s):  
Yuhua Chi ◽  
Lianming Zhao ◽  
Xue Li ◽  
Houyu Zhu ◽  
Wenyue Guo
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
Adsorption Effect ◽  
First Principles Study ◽  
Ag Nanoclusters

Enhanced photocatalytic properties of Bi4O5Br2 by Mn doping: a first principles study

2018 ◽  
Vol 5 (7) ◽  
pp. 075512 ◽  
Author(s):  
Weibin Zhang ◽  
Shanjun Chen ◽  
Meilin He ◽  
Gangqiang Zhu ◽  
Woochul Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
Mn Doping ◽  
First Principles Study

scholarly journals First-principles Study on Photocatalytic Properties of Cu2O with Different Co Doped Concentrations

2018 ◽  
Vol 189 ◽  
pp. 032056
Author(s):  
Qiaoya Lv ◽  
Yafang Li ◽  
Shuhua Shi ◽  
Junqing Zhao ◽  
Yanju Ji ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
First Principles Study ◽  
Co Doped

scholarly journals Two-dimensional blue phosphorene–BAs vdW heterostructure with optical and photocatalytic properties: a first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (21) ◽  
pp. 13025-13029
Author(s):  
Khang D. Pham ◽  
C. V. Nguyen ◽  
Nguyen T. T. Binh ◽  
Cuong Q. Nguyen ◽  
M. Idrees ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Vdw Heterostructure ◽  
Blue Phosphorene

In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene–BAs (BlueP–BAs) vdW heterostructure using first-principles calculations.

scholarly journals First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst

2015 ◽  
Vol 51 (14) ◽  
pp. 2867-2870 ◽  
Author(s):  
Jie Yu ◽  
Qimin Yan ◽  
Wei Chen ◽  
Anubhav Jain ◽  
Jeffrey B. Neaton ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Oxygen Evolution ◽  
First Principles ◽  
Photocatalytic Properties ◽  
First Principles Study

We present a first-principles study of MnNiO3, a promising oxygen-evolution photocatalyst.

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