CO Oxidation at Rutile TiO2(110): Role of Oxygen Vacancies and Titanium Interstitials

ACS Catalysis ◽  
2015 ◽  
Vol 5 (4) ◽  
pp. 2042-2050 ◽  
Author(s):  
Yan-Yan Yu ◽  
Xue-Qing Gong
Keyword(s):  
Co Oxidation ◽  
Oxygen Vacancies ◽  
Rutile Tio2

CO oxidation on PdO catalysts with perfect and defective rutile-TiO2 as supports: Elucidating the role of oxygen vacancy in support by DFT calculations

2017 ◽  
Vol 401 ◽  
pp. 49-56 ◽  
Author(s):  
Xiao Li ◽  
Xiongfei Sun ◽  
Xianglan Xu ◽  
Wenming Liu ◽  
Honggen Peng ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Dft Calculations ◽  
Co Oxidation ◽  
Rutile Tio2

CO Oxidation on PdO(101) during Temperature-Programmed Reaction Spectroscopy: Role of Oxygen Vacancies

2014 ◽  
Vol 118 (49) ◽  
pp. 28647-28661 ◽  
Author(s):  
Feng Zhang ◽  
Li Pan ◽  
Tao Li ◽  
John T. Diulus ◽  
Aravind Asthagiri ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Oxygen Vacancies ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction Spectroscopy ◽  
Temperature Programmed Reaction

Role of Oxygen Vacancies in Water Vapor Chemisorption and CO Oxidation on Titania

1995 ◽  
Vol 170 (1) ◽  
pp. 215-219 ◽  
Author(s):  
G. Sengupta ◽  
R.N. Chatterjee ◽  
G.C. Maity ◽  
B.J. Ansari ◽  
C.V.V. Satyanarayna
Keyword(s):  
Water Vapor ◽  
Co Oxidation ◽  
Oxygen Vacancies

First principles study of CO oxidation on TiO2(110): The role of surface oxygen vacancies

2004 ◽  
Vol 120 (9) ◽  
pp. 4512-4516 ◽  
Author(s):  
Xueyuan Wu ◽  
Annabella Selloni ◽  
Saroj K. Nayak
Keyword(s):  
Co Oxidation ◽  
First Principles ◽  
Oxygen Vacancies ◽  
Surface Oxygen ◽  
First Principles Study

scholarly journals Conversion of Methanol on Rutile TiO2 (110) and Tungsten Oxide Clusters: 2. The Role of Defects and Electron Transfer in Bifunctional Oxidic Photocatalysts

2021 ◽  
Author(s):  
Lars Mohrhusen ◽  
Jessica Kräuter ◽  
Katharina Al-Shamery
Keyword(s):  
Electron Transfer ◽  
Transition Metal ◽  
Metal Oxide ◽  
Tungsten Oxide ◽  
Organic Compounds ◽  
Uv Irradiation ◽  
Organic P ◽  
Rutile Tio2 ◽  
Metal Oxide Surfaces

The photochemical conversion of organic compounds on tailored transition metal oxide surfaces by (UV) irradiation has found wide applications ranging from the production of chemicals to the degradation of organic...

Balanced performance for β-Ga2O3 solar blind photodetectors: The role of oxygen vacancies

2021 ◽  
Vol 112 ◽  
pp. 110808
Author(s):  
Jiang Wang ◽  
Yuanqiang Xiong ◽  
Lijuan Ye ◽  
Wanjun Li ◽  
Guoping Qin ◽  
...  
Keyword(s):  
Oxygen Vacancies ◽  
Solar Blind

scholarly journals On the Effects of Doping on the Catalytic Performance of (La,Sr)CoO3. A DFT Study of CO Oxidation

Catalysts ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 312 ◽  
Author(s):  
Antonella Glisenti ◽  
Andrea Vittadini
Keyword(s):  
Catalytic Activity ◽  
Co Oxidation ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Formation Energy ◽  
Oxygen Vacancies ◽  
Catalytic Performance ◽  
Energy Profiles ◽  
High Concentrations ◽  
3D Impurities

The effects of modifying the composition of LaCoO3 on the catalytic activity are predicted by density functional calculations. Partially replacing La by Sr ions has benefical effects, causing a lowering of the formation energy of O vacancies. In contrast to that, doping at the Co site is less effective, as only 3d impurities heavier than Co are able to stabilize vacancies at high concentrations. The comparison of the energy profiles for CO oxidation of undoped and of Ni-, Cu-m and Zn-doped (La,Sr)CoO3(100) surface shows that Cu is most effective. However, the effects are less spectacular than in the SrTiO3 case, due to the different energetics for the formation of oxygen vacancies in the two hosts.

On the Role of Diffusion in the Oxidation of Fe, Ni, Co and the Fe-Sn Alloy by Calcium and Sodium Sulfates

2006 ◽  
Vol 258-260 ◽  
pp. 63-67
Author(s):  
V.M. Chumarev ◽  
V.P. Maryevich ◽  
V.A. Shashmurin
Keyword(s):  
Co Oxidation ◽  
Chemical Reaction ◽  
Diffusion Processes ◽  
Transport Processes ◽  
Diffusion Transport ◽  
Sodium Sulfates ◽  
Product Forms ◽  
Kinetics Of ◽  
Dominant Part

Diffusion processes play a dominant part in the macro kinetics of Fe, Ni and Co oxidation by calcium and sodium sulfates. Here, the reaction product forms a compact covering which spatially divides the reagents on the surface in the same way as in the oxidation and sulfidization of metals by oxygen and sulfur. Therefore, it is possible to assume in advance that interaction of metals with calcium and sodium sulfates will be determined not by the actual chemical reaction properly but by the diffusion transport processes.

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