Enhanced orientation photocatalytic ability of 1D inorganic imprinted oxygen vacancy CdO0.5S0.5 by confining the target to the specific reaction sites enriched in electrons

2022 ◽  
pp. 163708
Author(s):  
Huan Yan ◽  
Guosheng Zhou ◽  
Zehui Yu ◽  
Yangrui Xu ◽  
Panpan Wang ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Photocatalytic Ability ◽  
Specific Reaction

First-principles study on the optical spectra of ZrO2 crystal with oxygen vacancy

2019 ◽  
Vol 33 (31) ◽  
pp. 1950372
Author(s):  
Rui Guo ◽  
Tingyu Liu ◽  
Yazhou Lu ◽  
Qiuyue Li ◽  
Xuping Jiao ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Density Functional ◽  
Defect Formation ◽  
Finite Size ◽  
Optical Spectra ◽  
Photocatalytic Ability ◽  
Luminescence Peak ◽  
Electron Phonon Coupling ◽  
Correction Scheme ◽  
F Center

In this paper, we present the optical spectra of the ZrO2 crystal containing oxygen vacancy based on the Density Functional Theory (DFT). The finite-size correction scheme (FNV) is employed to eliminate the artificial interactions and correct the defect formation energy of oxygen vacancies with three different charges (0, +1, +2). Besides, we use hybrid density functionals to relieve the band edge problem. Finally, we obtain the optical spectra for the F center and F[Formula: see text] center containing the electron–phonon coupling. The absorption peak of F center of threefold coordinate oxygen vacancy (V[Formula: see text]) near 446 nm (2.78 eV) agrees well with the experimental value (2.83 eV), which can enhance the visible light photocatalytic ability of ZrO2. The luminescence peak of the F[Formula: see text] center of fourfold coordinate oxygen vacancy (V[Formula: see text]) is 561 nm (2.21 eV), which is close to the experimental value (2.5 eV).

Impact Of Synthesis Route on the Water Oxidation Kinetics of Hematite Photoanodes

2020 ◽  
Author(s):  
Camilo A. Mesa ◽  
Ludmilla Steier ◽  
Benjamin Moss ◽  
Laia Francàs ◽  
James E. Thorne ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Reaction Kinetics ◽  
Water Oxidation ◽  
Oxidation Kinetics ◽  
Oxidation Reaction ◽  
Charge Accumulation ◽  
Optical Signals ◽  
Current Voltage ◽  
Voltage Performance ◽  
Kinetics Of

<p><i>Operando</i> spectroelectrochemical analysis is used to determine the water oxidation reaction kinetics for hematite photoanodes prepared using four different synthetic procedures. Whilst these photoanodes exhibit very different current / voltage performance, their underlying water oxidation kinetics are found to be almost invariant. Lower photoanode performance was found to correlate with the observation of optical signals indicative of charge accumulation in mid-gap oxygen vacancy states, indicating these states do not contribute directly to water oxidation.</p>

Enhanced photocatalytic activity of perovskite NaNbO3 by oxygen vacancy engineering

2019 ◽  
Vol 21 (22) ◽  
pp. 11697-11704 ◽  
Author(s):  
Bian Yang ◽  
Jihong Bian ◽  
Lei Wang ◽  
Jianwei Wang ◽  
Yaping Du ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Oxygen Vacancy

Oxygen vacancy engineering can improve the photocatalytic activity of perovskite NaNbO3.

scholarly journals Transferability of the SRP32-vdW specific reaction parameter functional to CHD3 dissociation on Pt(110)-(2 × 1)

2019 ◽  
Vol 150 (12) ◽  
pp. 124702 ◽  
Author(s):  
Helen Chadwick ◽  
Ana Gutiérrez-González ◽  
Rainer D. Beck ◽  
Geert-Jan Kroes
Keyword(s):  
Reaction Parameter ◽  
Specific Reaction

Improvement of reliability of polymer nanocomposite based transparent memory device by oxygen vacancy rich ZnO nanorods

2016 ◽  
Vol 164 ◽  
pp. 53-58 ◽  
Author(s):  
Snigdha Bhattacharjee ◽  
Pranab Kumar Sarkar ◽  
Nandini Roy ◽  
Asim Roy
Keyword(s):  
Oxygen Vacancy ◽  
Zno Nanorods ◽  
Polymer Nanocomposite ◽  
Memory Device

Oxygen Vacancy Engineering in Fe Doped Akhtenskite-Type MnO2 for Low-Temperature Toluene Oxidation

2020 ◽  
pp. 119873
Author(s):  
Yu Wang ◽  
Ji Wu ◽  
Gang Wang ◽  
Dengyao Yang ◽  
Tatsumi Ishihara ◽  
...  
Keyword(s):  
Low Temperature ◽  
Oxygen Vacancy ◽  
Toluene Oxidation

Boosted charge transfer in oxygen vacancy-rich K+ birnessite MnO2 for water oxidation and zinc-ion batteries

2021 ◽  
Vol 378 ◽  
pp. 138147
Author(s):  
MengXian Lin ◽  
Fuqiang Shao ◽  
Shuting Weng ◽  
Shanshan Xiong ◽  
Shuai Liu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Vacancy ◽  
Water Oxidation ◽  
Zinc Ion

Efficient degradation of ciprofloxacin by magnetic γ-Fe2O3-MnO2 with oxygen vacancy in visible-light/peroxymonosulfate system

Chemosphere ◽  
2021 ◽  
pp. 130257
Author(s):  
Jianhui Zhao ◽  
Yuanzhou Wang ◽  
Ning Li ◽  
Shaopo Wang ◽  
Junli Yu ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Visible Light
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