First-principle study of CO adsorption and oxidation on Sm-doped CeO2(111) surface

RSC Advances ◽  
2016 ◽  
Vol 6 (24) ◽  
pp. 20349-20356 ◽  
Author(s):  
Tao Xie ◽  
Xu-Dong Wang ◽  
Man Yao ◽  
Xiong-Shan Liu ◽  
Yong-Gang Chen
Keyword(s):  
Co Oxidation ◽  
Surface Properties ◽  
Co Adsorption ◽  
Catalytic Performance ◽  
First Principle ◽  
Doped Ceo2

The surface properties and CO oxidation on Sm doped CeO2(111) have been studied systematically by using the DFT+U method to reveal the influence of Sm on the catalytic performance of CeO2(111).

Cr-Doped CeO2 Nanorods for CO Oxidation: Insights into Promotional Effect of Cr on Structure and Catalytic Performance

2019 ◽  
Vol 150 (4) ◽  
pp. 948-962 ◽  
Author(s):  
Perala Venkataswamy ◽  
Devaiah Damma ◽  
Deshetti Jampaiah ◽  
Deboshree Mukherjee ◽  
Muga Vithal ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Catalytic Performance ◽  
Promotional Effect ◽  
Doped Ceo2

Enhanced Catalytic Performance of Atomically Dispersed Pd on Pr-doped CeO2 Nanorod in CO Oxidation

2021 ◽  
pp. 127793
Author(s):  
Yanbo Deng ◽  
Pengfei Tian ◽  
Shijie Liu ◽  
Huaqiang He ◽  
Yuan Wang ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Catalytic Performance ◽  
Doped Ceo2

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.

Growth kinetic control over MgFe2O4 to tune Fe occupancy and metal–support interactions for optimum catalytic performance

CrystEngComm ◽  
2021 ◽  
Vol 23 (13) ◽  
pp. 2538-2546
Author(s):  
Min Yang ◽  
Guangshe Li ◽  
Huixia Li ◽  
Junfang Ding ◽  
Yan Wang ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Growth Kinetic ◽  
Catalytic Performance ◽  
Growth Behavior ◽  
Kinetic Control ◽  
Size Dependent ◽  
Metal Support ◽  
Support Size ◽  
Metal Support Interactions ◽  
First Time

For the first time, the growth behavior with size-dependent Fe occupancies at different sites of MgFe2O4 was examined. Hybrid catalysts of Pt/MgFe2O4 with a support size of 20.6 nm exhibited an optimal performance of CO oxidation.

Synthesis and Catalytic Performance of a New V-doped CeO2-supported Alkali-activated-steel-slag-based Photocatalyst

2021 ◽  
Vol 36 (2) ◽  
pp. 209-214
Author(s):  
Le Kang ◽  
Huiling Du ◽  
Jun Deng ◽  
Xinrui Jing ◽  
Sen Zhang ◽  
...  
Keyword(s):  
Steel Slag ◽  
Catalytic Performance ◽  
Doped Ceo2 ◽  
Alkali Activated

scholarly journals Unique structure of active platinum-bismuth site for oxidation of carbon monoxide

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Bing Nan ◽  
Qiang Fu ◽  
Jing Yu ◽  
Miao Shu ◽  
Lu-Lu Zhou ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Low Temperature ◽  
Co Oxidation ◽  
Density Functional ◽  
Technology Development ◽  
Co Adsorption ◽  
Combustion Engines ◽  
Advanced Combustion ◽  
Surface Metal ◽  
Bismuth Cluster

AbstractAs the technology development, the future advanced combustion engines must be designed to perform at a low temperature. Thus, it is a great challenge to synthesize high active and stable catalysts to resolve exhaust below 100 °C. Here, we report that bismuth as a dopant is added to form platinum-bismuth cluster on silica for CO oxidation. The highly reducible oxygen species provided by surface metal-oxide (M-O) interface could be activated by CO at low temperature (~50 °C) with a high CO2 production rate of 487 μmolCO2·gPt−1·s−1 at 110 °C. Experiment data combined with density functional calculation (DFT) results demonstrate that Pt cluster with surface Pt−O−Bi structure is the active site for CO oxidation via providing moderate CO adsorption and activating CO molecules with electron transformation between platinum atom and carbon monoxide. These findings provide a unique and general approach towards design of potential excellent performance catalysts for redox reaction.

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