Interplay between Copper Nanoparticle Size and Oxygen Vacancy on Mg-Doped Ceria Controls Partial Hydrogenation Performance and Stability

ACS Catalysis ◽  
2021 ◽  
pp. 8116-8131
Author(s):  
Yuxin Zhao ◽  
Ahsan Jalal ◽  
Alper Uzun
Keyword(s):  
Oxygen Vacancy ◽  
Nanoparticle Size ◽  
Partial Hydrogenation ◽  
Doped Ceria ◽  
Copper Nanoparticle ◽  
Mg Doped

Oxygen vacancy induced peroxymonosulfate activation by Mg-doped Fe2O3 composites for advanced oxidation of organic pollutants

Chemosphere ◽  
2021 ◽  
pp. 130482
Author(s):  
Sheng Guo ◽  
Mengdie Liu ◽  
Liming You ◽  
Gang Cheng ◽  
Jun Li ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Organic Pollutants ◽  
Advanced Oxidation ◽  
Mg Doped

scholarly journals Oxygen-vacancy ordering in lanthanide-doped ceria: Dopant-type dependence and structure model

2008 ◽  
Vol 77 (2) ◽  
Author(s):  
Ding Rong Ou ◽  
Toshiyuki Mori ◽  
Fei Ye ◽  
Jin Zou ◽  
Graeme Auchterlonie ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Doped Ceria ◽  
Structure Model ◽  
Vacancy Ordering

Exploration of Atomic Scale Changes during Oxygen Vacancy Dissociation Mechanism in Nanostructure Co-Doped Ceria: As Electrolytes for IT-SOFC

2019 ◽  
Vol 166 (8) ◽  
pp. F544-F554 ◽  
Author(s):  
Shraddha Shirbhate ◽  
Ruhi Naz Nayyar ◽  
Prasanta K. Ojha ◽  
Ashok K. Yadav ◽  
Smita Acharya
Keyword(s):  
Oxygen Vacancy ◽  
Atomic Scale ◽  
Doped Ceria ◽  
Dissociation Mechanism ◽  
Co Doped

Oxygen vacancy formation energy in Pd-doped ceria: A DFT+U study

2007 ◽  
Vol 127 (7) ◽  
pp. 074704 ◽  
Author(s):  
Zongxian Yang ◽  
Gaixia Luo ◽  
Zhansheng Lu ◽  
Kersti Hermansson
Keyword(s):  
Oxygen Vacancy ◽  
Formation Energy ◽  
Vacancy Formation Energy ◽  
Vacancy Formation ◽  
Doped Ceria ◽  
Oxygen Vacancy Formation

Trace oxygen effects on copper nanoparticle size and morphology

1996 ◽  
Vol 68 (3) ◽  
pp. 343-345 ◽  
Author(s):  
D. L. Olynick ◽  
J. M. Gibson ◽  
R. S. Averback
Keyword(s):  
Nanoparticle Size ◽  
Copper Nanoparticle ◽  
Oxygen Effects ◽  
Size And Morphology

First-principles Study of Defect Migration in RE-doped Ceria (RE = Pr, Gd)

2011 ◽  
Vol 1311 ◽  
Author(s):  
Pratik Dholabhai ◽  
James Adams ◽  
Peter Crozier ◽  
Renu Sharma
Keyword(s):  
Oxygen Vacancy ◽  
Density Functional ◽  
Vacancy Formation ◽  
Doped Ceria ◽  
Defect Migration ◽  
Vacancy Migration ◽  
Oxygen Ion ◽  
Oxygen Vacancy Formation ◽  
And Migration ◽  
Migration Pathways

ABSTRACTOxygen vacancy formation and migration in ceria is central to its performance as an ionic conductor. Ceria doped with suitable aliovalent dopants has enhanced oxygen ion conductivity – higher than that of yttria stabilized zirconia (YSZ), the most widely used electrolyte material in solid oxide fuel cells (SOFC). To gain insight into atomic defect migration in this class of promising electrolyte materials, we have performed total energy calculations within the framework of density functional theory (DFT+U) to study oxygen vacancy migration in ceria, Pr-doped ceria (PDC) and Gd-doped ceria (GDC). We report activation energies for various oxygen vacancy migration pathways in PDC and GDC. Results pertaining to the preferred oxygen vacancy formation sites and migration pathways in these materials will be discussed in detail. Overall, the presence of Pr and Gd ions significantly affects oxygen vacancy formation and migration, in a complex manner requiring the investigation of many different migration events. We propose a relationship that explains the role of additional dopants in lowering the activation energy for vacancy migration in PDC and GDC.

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