Electronic band structure, optical absorption and photocatalytic activity of anatase doped with bismuth or carbon

2013 ◽  
Vol 548 ◽  
pp. 46-51 ◽  
Author(s):  
V.P. Zhukov ◽  
I.R. Shein ◽  
V.M. Zainullina
Keyword(s):  
Photocatalytic Activity ◽  
Optical Absorption ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

Electronic band structure, optical absorption, and photocatalytic activity of iron-doped anatase

2013 ◽  
Vol 55 (9) ◽  
pp. 1903-1912 ◽  
Author(s):  
V. N. Krasil’nikov ◽  
V. P. Zhukov ◽  
L. A. Perelyaeva ◽  
I. V. Baklanova ◽  
I. R. Shein
Keyword(s):  
Photocatalytic Activity ◽  
Optical Absorption ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Iron Doped

scholarly journals Effect of Se Doping on the Electronic Band Structure and Optical Absorption Properties of Single Layer MoS2

2016 ◽  
Vol 32 (12) ◽  
pp. 2905-2912 ◽  
Author(s):  
Gang LI ◽  
◽  
Min-Qiang CHEN ◽  
Shi-Xiong ZHAO ◽  
Peng-Wei LI ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Single Layer ◽  
Absorption Properties ◽  
Electronic Band ◽  
Se Doping

Electronic band structure and optical absorption of nanotubular zinc oxide doped with Iron, Cobalt, or Copper

2013 ◽  
Vol 55 (12) ◽  
pp. 2450-2458 ◽  
Author(s):  
V. P. Zhukov ◽  
V. N. Krasil’nikov ◽  
L. A. Perelyaeva ◽  
I. V. Baklanova ◽  
I. R. Shein
Keyword(s):  
Zinc Oxide ◽  
Optical Absorption ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Iron Cobalt

Synthesis of tapered tetragonal nanorods of anatase TiO2 with enhanced photocatalytic activity via a sol–hydrothermal process mediated by H2O2 and NH3

2015 ◽  
Vol 3 (29) ◽  
pp. 15265-15273 ◽  
Author(s):  
Linlin Zhang ◽  
Long Tian ◽  
Yongxin Liu ◽  
Taixing Tan ◽  
Dan Liu ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Structure ◽  
Surface Area ◽  
Electronic Band Structure ◽  
Hydrothermal Process ◽  
Anatase Tio2 ◽  
Large Surface Area ◽  
Electronic Band ◽  
Photocatalytic Activities ◽  
Unique Surface

Enhanced photocatalytic activities of tapered tetragonal nanorods of anatase TiO2 mediated by H2O2 and NH3 were ascribed to their large surface area, unique surface heterojunction and superior electronic band structure.

Electronic band structure and visible-light photocatalytic activity of Bi2WO6: elucidating the effect of lutetium doping

RSC Advances ◽  
2016 ◽  
Vol 6 (103) ◽  
pp. 101105-101114 ◽  
Author(s):  
H. Ait Ahsaine ◽  
A. El jaouhari ◽  
A. Slassi ◽  
M. Ezahri ◽  
A. Benlhachemi ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Structure ◽  
Visible Light ◽  
Photocatalytic Degradation ◽  
Photocatalytic Performance ◽  
Electronic Band Structure ◽  
Active Species ◽  
Electronic Band ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

BWO and Lu-BWO were synthesized by coprecipitation method. Lu-BWO sample exhibits the highest visible-light-responsive photocatalytic performance for the degradation of MB. h+ and ˙O2− are the main active species in the photocatalytic degradation.

AB INITIO APPROACH TO STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF B-, C- AND N-DOPED ANATASE

2010 ◽  
Vol 24 (31) ◽  
pp. 6049-6067 ◽  
Author(s):  
V. P. ZHUKOV ◽  
V. M. ZAINULLINA ◽  
E. V. CHULKOV
Keyword(s):  
Optical Properties ◽  
Optical Absorption ◽  
Band Structure ◽  
Crystal Lattice ◽  
Ab Initio ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Impurity Band ◽  
Theory Approach ◽  
Electronic Band

The effect of doping with boron, carbon and nitrogen on crystal lattice parameters, electronic band structure and optical absorption of anatase has been studied by means of an ab initio density functional theory approach. The investigations included optimization of crystal structure based on the pseudo-potential plane-wave approach. The spin-polarized calculations of the band structure with the account of on-site Coulomb correlations (LSDA+U) employing the tight-binding linear muffin-tin orbitals method (TB-LMTO) have also been performed. The evaluations of optical absorption were based on the calculations of dielectric function with local field effects taken into account. We find that the crystal lattice relaxation around the doping atoms produces noticeable changes in the band structure, magnetic state and optical properties of the doped compounds. The most considerable effects are the collapse of magnetic moment on carbon atom and an essential reduction of the optical absorption in the region of the impurity band — impurity band transitions. Comparing optical absorption for different kinds of doping and taking into account the intensity distribution of the solar light we come to the conclusion than the doping with boron is the most promising kind of doping for photocatalytic applications of the doped anatase.

Tuning of the electronic band structure of fibrous silica titania with g-C3N4 for efficient Z-scheme photocatalytic activity

2020 ◽  
Vol 512 ◽  
pp. 145744 ◽  
Author(s):  
M.S. Azami ◽  
A.A. Jalil ◽  
C.N.C. Hitam ◽  
N.S. Hassan ◽  
C.R. Mamat ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band
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