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.

Electronic structure and thermoelectric properties of the Zintl compounds Sr5Al2Sb6 and Ca5Al2Sb6: first-principles study

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 50720-50728 ◽  
Author(s):  
Lingyun Ye ◽  
Yuan Xu Wang ◽  
Jueming Yang ◽  
Yuli Yan ◽  
Jihua Zhang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
First Principles ◽  
High Carrier Concentration ◽  
Mn Doping ◽  
First Principles Study ◽  
High Carrier

A high carrier concentration may be realized by Na or Mn doping. The thermoelectric properties may be improved by tuning the carrier concentration.

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