First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

2015 ◽  
Vol 28 (6) ◽  
pp. 681-687 ◽  
Author(s):  
Ping Huang ◽  
Bo Shang ◽  
Ling-jie Li ◽  
Jing-lei Lei
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Anatase Tio2 ◽  
Photocatalytic Properties ◽  
La Doping ◽  
First Principles Study ◽  
Doping Effects

Al-, Y-, and La-doping effects favoring intrinsic and field induced ferroelectricity in HfO2: A first principles study

2018 ◽  
Vol 123 (16) ◽  
pp. 164101 ◽  
Author(s):  
Robin Materlik ◽  
Christopher Künneth ◽  
Max Falkowski ◽  
Thomas Mikolajick ◽  
Alfred Kersch
Keyword(s):  
First Principles ◽  
La Doping ◽  
First Principles Study ◽  
Doping Effects

scholarly journals First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2

2012 ◽  
Vol 61 (16) ◽  
pp. 167103
Author(s):  
Li Cong ◽  
Hou Qing-Yu ◽  
Zhang Zhen-Duo ◽  
Zhao Chun-Wang ◽  
Zhang Bing
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
Electronic Structures ◽  
Anatase Tio2 ◽  
First Principles Study

Electronic structures of anatase (TiO2)1−x(TaON)x solid solutions: a first-principles study

2015 ◽  
Vol 17 (27) ◽  
pp. 17980-17988 ◽  
Author(s):  
Wenqiang Dang ◽  
Hungru Chen ◽  
Naoto Umezawa ◽  
Junying Zhang
Keyword(s):  
Crystal Structure ◽  
Solid Solutions ◽  
First Principles ◽  
Electronic Structures ◽  
Anatase Tio2 ◽  
Band Gaps ◽  
High Concentration ◽  
First Principles Study

Solid solutions (TiO2)1−x(TaON)x (0 ≤ x ≤ 1) within an anatase crystal structure have substantially narrower band gaps than pristine TiO2. Incorporation of high-concentration N by the strategy of introducing Ta along with N for the sake of carrier compensation is promising to overcome the difficulty in N-doped TiO2.

scholarly journals First-principles study of the electronic structures and optical and photocatalytic performances of van der Waals heterostructures of SiS, P and SiC monolayers

RSC Advances ◽  
2021 ◽  
Vol 11 (24) ◽  
pp. 14263-14268
Author(s):  
Qaisar Alam ◽  
S. Muhammad ◽  
M. Idrees ◽  
Nguyen V. Hieu ◽  
Nguyen T. T. Binh ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Photocatalytic Properties ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Photocatalytic Performances

The electronic structures and optical and photocatalytic properties of SiS, P and SiC van der Waals (vdW) heterostructures are investigated by (hybrid) first-principles calculations.

Sign in / Sign up

Export Citation Format

Share Document