scholarly journals Origin of Visible Light Photocatalytic Activity of Ag3AsO4from First-Principles Calculation

2014 ◽  
Vol 2014 ◽  
pp. 1-5 ◽  
Author(s):  
Yan Gong ◽  
Hongtao Yu ◽  
Xie Quan
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Density Functional Method ◽  
Functional Method ◽  
First Principles Calculation ◽  
Visible Light Photocatalytic Activity ◽  
Valence Bands ◽  
Visible Light Photocatalytic

Recently a novel sliver oxide Ag3AsO4has been found to be an excellent photocatalyst with strong oxidation capability for pollutant degradation under visible light. But the origin of its high visible light photocatalytic activity was unclear which hindered further research of Ag3AsO4. For clarifying that, the electronic structure and optical properties of Ag3AsO4have been analyzed by the hybrid density functional method. The results reveal that the Ag3AsO4presents a narrow band gap with strong oxidation ability of the valence bands maximum edge and the highly delocalized charge distribution of the conduction bands minimum is beneficial for the carriers transfer to surface to participate in the photocatalytic reaction. These results provide clear explanations of the excellent visible light photocatalytic performance of the Ag3AsO4from microscopic aspect. And it is significant to design novel materials with high photocatalytic performance.

A hybrid density functional study on the visible light photocatalytic activity of (Mo,Cr)–N codoped KNbO3

2015 ◽  
Vol 17 (43) ◽  
pp. 28743-28753 ◽  
Author(s):  
Guangzhao Wang ◽  
Hong Chen ◽  
Yang Li ◽  
Anlong Kuang ◽  
Hongkuan Yuan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Functional Study ◽  
Redox Level ◽  
Hybrid Density Functional ◽  
Decomposition Of Water ◽  
Visible Light Photocatalytic

To improve the photocatalytic performance of KNbO3 for the decomposition of water into hydrogen and oxygen, the electronic structure of KNbO3 should be modified to have a suitable bandgap with band edge positions straddling the water redox level so as to sufficiently absorb visible light.

The nanocomposite of polyaniline and nitrogen-doped layered HTiNbO5with excellent visible-light photocatalytic performance

2014 ◽  
Vol 16 (26) ◽  
pp. 13409-13417 ◽  
Author(s):  
Chao Liu ◽  
Liang Wu ◽  
Jing Chen ◽  
Ji-yuan Liang ◽  
Chang-shun Li ◽  
...  
Keyword(s):  
Methylene Blue ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Charge Separation ◽  
Photocatalytic Performance ◽  
High Efficiency ◽  
Nitrogen Doped ◽  
Visible Light Photocatalytic Activity ◽  
N Doping ◽  
Visible Light Photocatalytic

N-doping and intercalation resulted in a PANI–N-HTiNbO5lamellar nanocomposite, which showed a dramatic enhanced visible-light photocatalytic activity and stability for the degradation of methylene blue (MB), due to the high efficiency of charge separation.

Carbon-doped titania nanoplates with exposed {001} facets: facile synthesis, characterization and visible-light photocatalytic performance

RSC Advances ◽  
2015 ◽  
Vol 5 (23) ◽  
pp. 17667-17675 ◽  
Author(s):  
Jian-Wen Shi ◽  
Chang Liu ◽  
Chi He ◽  
Jun Li ◽  
Chong Xie ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Photocatalytic Performance ◽  
Facile Synthesis ◽  
Carbon Doped ◽  
Visible Light Photocatalytic Activity ◽  
Doped Titania ◽  
First Time ◽  
Visible Light Photocatalytic

C-doped TiO2 nanoplates (CTNP) with exposed {001} facets were synthesized for the first time. The obtained CTNP presented high visible-light photocatalytic activity. A reasonable mechanism of photocatalysis on CTNP under visible light was proposed.

Coupling with a narrow-band-gap semiconductor for the enhancement of visible-light photocatalytic activity: preparation of Bi2OxS3−x/Nb6O17 and application to the degradation of methyl orange

2016 ◽  
Vol 45 (35) ◽  
pp. 13944-13950 ◽  
Author(s):  
Gang Yan ◽  
Hongfei Shi ◽  
Huaqiao Tan ◽  
Wanbin Zhu ◽  
Yonghui Wang ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Methyl Orange ◽  
Visible Light ◽  
Band Gap ◽  
Photocatalytic Performance ◽  
Narrow Band ◽  
Visible Light Photocatalytic Activity ◽  
Degradation Of Methyl Orange ◽  
Visible Light Photocatalytic

A new 2D sheet composite Bi2OxS3−x/Nb6O17 has been prepared, which shows good visible light photocatalytic performance for the degradation of methyl orange.

Reduced TiO2rutile nanorods with well-defined facets and their visible-light photocatalytic activity

2014 ◽  
Vol 50 (21) ◽  
pp. 2755-2757 ◽  
Author(s):  
Zhao Zhao ◽  
Huaqiao Tan ◽  
Haifeng Zhao ◽  
Yang Lv ◽  
Li-Jing Zhou ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Water Splitting ◽  
Photocatalytic Performance ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

Enhanced visible-light photocatalytic performance for water splitting H2evolution is obtained from reduced TiO2rutile nanorods with well-defined facets.

scholarly journals Rendering Visible-Light Photocatalytic Activity to Undoped ZnO via Intrinsic Defects Engineering

Catalysts ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1163
Author(s):  
Lan-li Chen ◽  
Bao-gai Zhai ◽  
Yuan Ming Huang
Keyword(s):  
Photocatalytic Activity ◽  
Methyl Orange ◽  
Visible Light ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Oxygen Vacancies ◽  
Intrinsic Defect ◽  
Visible Light Photocatalytic Activity ◽  
Zno Nanocrystals ◽  
Visible Light Photocatalytic

It is significant to render visible-light photocatalytic activity to undoped ZnO nanostructures via intrinsic defect engineering. In this work, undoped ZnO nanocrystals were derived via co-precipitation synthesis. The resulting ZnO nanocrystals were characterized by means of X-ray diffraction, scanning electron microscopy, photoluminescence spectroscopy, and ultraviolet-visible absorption spectroscopy, respectively. The visible-light photocatalytic activity of the products were characterized by monitoring the decomposition of methyl orange in water under visible-light illumination of a 300 W halogen lamp. It is found that undoped ZnO nanocrystals exhibit visible-light photocatalytic activity with their first-order rate constant up to 4.6 × 10−3 min−1. Density functional calculations show that oxygen vacancies create deep energy levels at EV + 0.76 eV in the bandgap of ZnO. In conjunction with the density functional calculations, the photocatalytic degradation of methyl orange under visible-light irradiation provides direct evidence that oxygen vacancies in ZnO nanocrystals yield the visible-light photocatalytic activity. Our results demonstrate that visible-light photocatalytic activity can be endowed to undoped ZnO nanocrystals by manipulating the intrinsic defects in ZnO. Intrinsic defect-modulated ZnO photocatalysts thus represent a powerful configuration for further development toward visible-light responsive photocatalysis.

scholarly journals Synthesis of core–shell N-TiO2@CuOx with enhanced visible light photocatalytic performance

RSC Advances ◽  
2018 ◽  
Vol 8 (44) ◽  
pp. 24866-24872
Author(s):  
Shu Wang ◽  
Rufei Huo ◽  
Rui Zhang ◽  
Yuchuan Zheng ◽  
Changjiang Li ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Photocatalytic Performance ◽  
Core Shell ◽  
Simple Method ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

In this paper, a core–shell N-TiO2@CuOx nanomaterial with increased visible light photocatalytic activity was successfully synthesized using a simple method.

Hydrothermal formation of N/Ti3+ codoped multiphasic (brookite–anatase–rutile) TiO2 heterojunctions with enhanced visible light driven photocatalytic performance

2017 ◽  
Vol 46 (45) ◽  
pp. 15727-15735 ◽  
Author(s):  
Mingxuan Sun ◽  
Yuanyuan Kong ◽  
Yalin Fang ◽  
Swati Sood ◽  
Yuan Yao ◽  
...  
Keyword(s):  
Methylene Blue ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Photocatalytic Performance ◽  
Rutile Tio2 ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Driven ◽  
Visible Light Photocatalytic

Multiphasic TiO2 heterojunctions codoped with N and Ti3+ were fabricated and their enhanced visible light photocatalytic activity for the degradation of methylene blue was demonstrated.

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