The Photocatalytic Properties of VZn–N Co-doped ZnO: A First-Principles Investigation

2020 ◽  
Vol 150 (10) ◽  
pp. 2792-2797
Author(s):  
Luyan Li ◽  
Qiaoya Lv ◽  
Yafang Li ◽  
Longlong Li ◽  
Yanjie Zhao ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
Doped Zno ◽  
Co Doped

First-Principles Study on Co-Doped ZnO with Oxygen Vacancy

2010 ◽  
Vol 154-155 ◽  
pp. 124-129
Author(s):  
Zhen Zhen Weng ◽  
Zhi Gao Huang ◽  
Wen Xiong Lin
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
Density Functional ◽  
Exchange Interactions ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Ferromagnetic Exchange ◽  
Ferromagnetic Ground State ◽  
Doped Zno ◽  
Co Doped

The interatomic exchange interactions and the electronic structure of Co-doped ZnO with and without oxygen vacancy have been investigated by the first-principles calculations based on density functional theory. It is found that the oxygen vacancy can strengthen the ferromagnetic exchange interaction between Co atoms and might be available for carrier mediation. The oxygen vacancy near to the Co atoms is more favorable for the ferromagnetic ground state.

The effect of sulfur on the electrical properties of S and N co-doped ZnO thin films: experiment and first-principles calculations

2015 ◽  
Vol 17 (26) ◽  
pp. 16705-16708 ◽  
Author(s):  
Wenzhe Niu ◽  
Hongbin Xu ◽  
Yanmin Guo ◽  
Yaguang Li ◽  
Zhizhen Ye ◽  
...  
Keyword(s):  
Thin Films ◽  
Electrical Properties ◽  
First Principles ◽  
Zno Thin Films ◽  
First Principles Calculations ◽  
Type Conductivity ◽  
Doped Zno ◽  
P Type ◽  
Co Doped

The S dopants in S–N co-doped ZnO contribute to easier doping and p-type conductivity, as concluded by experiment and calculations.

Pure and (Er, Al) co-doped ZnO nanoparticles: synthesis, characterization, magnetic and photocatalytic properties

2018 ◽  
Vol 29 (12) ◽  
pp. 10677-10685 ◽  
Author(s):  
R. Ghomri ◽  
M. Nasiruzzaman Shaikh ◽  
M. I. Ahmed ◽  
W. Song ◽  
W. Cai ◽  
...  
Keyword(s):  
Zno Nanoparticles ◽  
Photocatalytic Properties ◽  
Nanoparticles Synthesis ◽  
Doped Zno ◽  
Co Doped

First-principles calculation of (Al,Ga) co-doped ZnO

2019 ◽  
Vol 21 ◽  
pp. e00426 ◽  
Author(s):  
M. Khuili ◽  
G. El Hallani ◽  
N. Fazouan ◽  
H. Abou El Makarim ◽  
E.H. Atmani
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Doped Zno ◽  
Co Doped

scholarly journals First-principles study on electronic structures of Al, N Co-doped ZnO nanotubes

2013 ◽  
Vol 62 (5) ◽  
pp. 056105
Author(s):  
Wang Ping ◽  
Guo Li-Xin ◽  
Yang Yin-Tang ◽  
Zhang Zhi-Yong
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
First Principles Study ◽  
Zno Nanotubes ◽  
Doped Zno ◽  
Co Doped

First-principles study on the bandgap modulation of Be and Mg co-doped ZnO systems

2009 ◽  
Vol 404 (12-13) ◽  
pp. 1794-1798 ◽  
Author(s):  
Xiyu Su ◽  
Panpan Si ◽  
Qinying Hou ◽  
Xianglan Kong ◽  
Wei Cheng
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Doped Zno ◽  
Co Doped
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