Effects of acceptor–donor complexes on electronic structure properties in co-doped TiO2: A first-principles study

2016 ◽  
Vol 81 ◽  
pp. 156-162 ◽  
Author(s):  
L. Zhang ◽  
L.L. Cai ◽  
X.B. Yuan ◽  
G.C. Hu ◽  
J.F. Ren
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Doped Tio2 ◽  
First Principles Study ◽  
Co Doped ◽  
Structure Properties

First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

2017 ◽  
Vol 136 (2) ◽  
Author(s):  
Jesús Muñiz ◽  
Christian Celaya ◽  
Ana Mejía-Ozuna ◽  
Ana Karina Cuentas-Gallegos ◽  
L. M. Mejía-Mendoza ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
First Principles ◽  
First Principles Study ◽  
Solid State Devices ◽  
Carbon Substrates ◽  
Structure Properties

Electronic and magnetic properties of the Janus MoSSe/WSSe superlattice nanoribbon: a first-principles study

2020 ◽  
Vol 22 (4) ◽  
pp. 2498-2508 ◽  
Author(s):  
Lingling Yu ◽  
Shoutian Sun ◽  
Xiang Ye
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Period Length ◽  
First Principles Calculations ◽  
Ribbon Width ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Structure Properties

The electronic structure properties of Janus MoSSe/WSSe superlattice nanoribbons (SLNRs) are investigated by first-principles calculations. The ribbon width, combination ratio and period length have a great effect on the properties of the SLNRs.

First Principles Study of Electronic Structure and Optical Properties for Co-doped β-FeSi2

2011 ◽  
Vol 31 (6) ◽  
pp. 0616003
Author(s):  
闫万珺 Yan Wanjun ◽  
周士芸 Zhou Shiyun ◽  
谢泉 Xie Quan ◽  
桂放 Gui Fang ◽  
张春红 Zhang Chunhong ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Study ◽  
Co Doped
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