Band-gap narrowing of TiO2 films induced by N-doping

2006 ◽  
Vol 376-377 ◽  
pp. 823-826 ◽  
Author(s):  
Y. Nakano ◽  
T. Morikawa ◽  
T. Ohwaki ◽  
Y. Taga
Keyword(s):  
Band Gap ◽  
Tio2 Films ◽  
N Doping ◽  
Band Gap Narrowing

THE EFFECT OF HIGH N-DOPED ANATASE TiO2 ON THE BAND GAP NARROWING AND REDSHIFT BY FIRST-PRINCIPLES

2012 ◽  
Vol 26 (27) ◽  
pp. 1250179 ◽  
Author(s):  
QINGYU HOU ◽  
YONGJUN JIN ◽  
CHUN YING ◽  
ERJUN ZHAO ◽  
YUE ZHANG ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Formation Energy ◽  
Doping Concentration ◽  
Covalent Bond ◽  
Anatase Tio2 ◽  
Structure Population ◽  
Densities Of States ◽  
N Doping ◽  
Band Gap Narrowing

Anatase TiO 2 supercells were studied by first-principles, in which one was undoped and another three were high N -doping. Partial densities of states, band structure, population and absorption spectrum were calculated. The calculated results indicated that in the condition of TiO 2-x N x (x = 0.0625, 0.125, 0.25), the higher the doping concentration is, the shorter will be the lattice parameters parallel to the direction of c-axis. The strength of covalent bond significantly varied. The formation energy increases at first, and then decreases. The doping models become less stable as N -doping concentration increases. Meanwhile, the narrower the band gap is, the more significant will be the redshift, which is in agreement with the experimental results.

Effect of compressive stress inducing a band gap narrowing on the photoinduced activities of sol–gel TiO2 films

2011 ◽  
Vol 520 (3) ◽  
pp. 1147-1154 ◽  
Author(s):  
Mohamed N. Ghazzal ◽  
N. Chaoui ◽  
M. Genet ◽  
Eric M. Gaigneaux ◽  
D. Robert
Keyword(s):  
Band Gap ◽  
Compressive Stress ◽  
Sol Gel ◽  
Tio2 Films ◽  
Band Gap Narrowing

Comparison of the Photocatalytic Activity of N-Doped, P-Doped Titania under Solar Light Irradiation

2010 ◽  
Vol 113-116 ◽  
pp. 2141-2144
Author(s):  
Si Yao Guo ◽  
Bo Chi ◽  
Jin Bing Sun ◽  
Feng Lu Wang ◽  
Lin Yang ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Gap ◽  
Band Gap Energy ◽  
Light Irradiation ◽  
Solar Light ◽  
Urea Solution ◽  
Solar Light Irradiation ◽  
N Doping ◽  
Doped Titania ◽  
Band Gap Narrowing

P-, N-doped titania were synthesized by the direct hydrothermal method, which phosphorus from phosphoric acid and the following nitridation from urea solution. The resulting materials were characterized by XRD, XPS analysis, and their photocatalytic activities were tested by the solar light irradiation. N-doping titania resulted in the band-gap narrowing with improved photocatalytic activity. However, the phosphated titania exhibited higher photocatalytic activity than the N-doped one, but with larger band-gap energy.

FIRST-PRINCIPLES CALCULATIONS ON ELECTRONIC STRUCTURES OF TiO2 ANATASE (101) SURFACES WITH N IMPURITIES

2011 ◽  
Vol 25 (02) ◽  
pp. 119-129 ◽  
Author(s):  
QI LI CHEN ◽  
GUANG ZHENG ◽  
KAI HUA HE ◽  
BO LI
Keyword(s):  
Band Gap ◽  
Electronic Structures ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Tio2 Anatase ◽  
Exchange Correlation ◽  
N Doping ◽  
Band Gap Narrowing ◽  
Coefficient Method

The electronic structures of nitrogen ( N )-doped TiO 2 anatase (101) surfaces have been investigated by density functional theory (DFT) plane-wave pseudopotential method with general gradient approximation (GGA) + U (Hubbard coefficient) method being adopted to describe the exchange-correlation effects. Both substitutional and interstitial N doping have been considered in this paper as well as the case of surface N adsorption. The results demonstrated that there is no obvious band gap narrowing observed by introducing N impurities except several N 2p states lying in the gap, whereas the introduction of oxygen vacancy was confirmed playing an important role on band gap narrowing. The results accord well with some experimental results.

Spectroscopic evidence of NOx formation and band-gap narrowing in N-doped TiO2 films grown by pulsed magnetron sputtering

2012 ◽  
Vol 136 (2-3) ◽  
pp. 729-736 ◽  
Author(s):  
R. Gago ◽  
A. Redondo-Cubero ◽  
M. Vinnichenko ◽  
J. Lehmann ◽  
F. Munnik ◽  
...  
Keyword(s):  
Magnetron Sputtering ◽  
Band Gap ◽  
Tio2 Films ◽  
Nox Formation ◽  
Doped Tio2 ◽  
Spectroscopic Evidence ◽  
Band Gap Narrowing ◽  
Pulsed Magnetron

Band-gap narrowing and potential fluctuation in Si-doped GaN

1999 ◽  
Vol 74 (1) ◽  
pp. 102-104 ◽  
Author(s):  
In-Hwan Lee ◽  
J. J. Lee ◽  
P. Kung ◽  
F. J. Sanchez ◽  
M. Razeghi
Keyword(s):  
Band Gap ◽  
Potential Fluctuation ◽  
Si Doped ◽  
Band Gap Narrowing

Electrical resistivity, MNM transition and band-gap narrowing of cubic GaN:Si

2002 ◽  
Vol 33 (4) ◽  
pp. 365-369 ◽  
Author(s):  
C. Moysés Araújo ◽  
J.R.L. Fernandez ◽  
A. Ferreira da Silva ◽  
I. Pepe ◽  
J.R. Leite ◽  
...  
Keyword(s):  
Electrical Resistivity ◽  
Band Gap ◽  
Band Gap Narrowing

Effect of tungsten doping on structural and optical properties of rutile TiO2 and band gap narrowing

Optik ◽  
2019 ◽  
Vol 182 ◽  
pp. 538-547 ◽  
Author(s):  
Jasvir Singh ◽  
Shivani Sharma ◽  
Sandeep Sharma ◽  
Ravi Chand Singh
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Structural And Optical Properties ◽  
Rutile Tio2 ◽  
Band Gap Narrowing ◽  
Tungsten Doping
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