Role of Surface Oxygen Vacancy Concentration on the Dissociation of Methane over Nonstoichiometric Ceria

2019 ◽  
Vol 123 (21) ◽  
pp. 13208-13218 ◽  
Author(s):  
Kent J. Warren ◽  
Jonathan R. Scheffe
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Concentration ◽  
Oxygen Vacancy Concentration ◽  
Surface Oxygen ◽  
Surface Oxygen Vacancy

Conversion of syngas into light olefins over bifunctional ZnCeZrO/SAPO-34 catalysts: regulation of the surface oxygen vacancy concentration and its relation to the catalytic performance

2021 ◽  
Author(s):  
Yaoya Luo ◽  
Sen Wang ◽  
Shujia Guo ◽  
Kai Yuan ◽  
Hao Wang ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Oxygen Vacancies ◽  
Vacancy Concentration ◽  
Catalytic Performance ◽  
Light Olefins ◽  
Oxygen Vacancy Concentration ◽  
Surface Oxygen ◽  
Surface Oxygen Vacancy

Surface oxygen vacancies can improve the formation of methanol intermediates and promote their evolution into olefin products for syngas-to-olefins over Zn0.5CeZrOx/SAPO-34.

MECHANISM STUDY ON OXYGEN VACANCY INDUCED RESISTANCE SWITCHING IN Au/LaMnO3/SrNb0.01Ti0.99O3

2013 ◽  
Vol 27 (11) ◽  
pp. 1350074 ◽  
Author(s):  
YU-LING JIN ◽  
ZHONG-TANG XU ◽  
KUI-JUAN JIN ◽  
CHEN GE ◽  
HUI-BIN LU ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Oxygen Vacancies ◽  
Vacancy Concentration ◽  
Resistance Switching ◽  
Switching Behavior ◽  
Oxygen Vacancy Concentration ◽  
Mechanism Study ◽  
Switching Performance ◽  
Switching Characteristics

Mechanism of resistance switching in heterostructure Au / LaMnO 3/ SrNb 0.01 Ti 0.99 O 3 was investigated. In Au / LaMnO 3/ SrNb 0.01 Ti 0.99 O 3 devices the LaMnO 3 films were fabricated under various oxygen pressures. The content of the oxygen vacancies has a significant impact on the resistance switching performance. We propose that the resistance switching characteristics of Au / LaMnO 3/ SrNb 0.01 Ti 0.99 O 3 arise from the modulation of the Au / LaMnO 3 Schottky barrier due to the change of the oxygen vacancy concentration at Au / LaMnO 3 interface under the external electric field. The effect of the oxygen vacancy concentration on the resistance switching is explained based on the self-consistent calculation. Both the experimental and numerical results confirm the important role of the oxygen vacancies in the resistance switching behavior.

THE ROLE OF SURFACE OXYGEN VACANCY IN N2O DECOMPOSITION ON Cu2O(111) SURFACE: A DFT STUDY

2008 ◽  
Vol 07 (02) ◽  
pp. 263-276 ◽  
Author(s):  
WEN-KAI CHEN ◽  
BAO-ZHEN SUN ◽  
XIA WANG ◽  
CHUN-HAI LU
Keyword(s):  
Oxygen Vacancy ◽  
Density Functional ◽  
Adsorbed Molecule ◽  
N2o Decomposition ◽  
Surface Oxygen ◽  
Generalized Gradient ◽  
First Case ◽  
Surface Oxygen Vacancy ◽  
Defective Surface

The role of a surface oxygen vacancy in the N 2 O dissociation over a Cu 2 O surface was studied using density functional theory — generalized gradient approximation periodic calculations. To perform this study, surface slab model — [Formula: see text] surface cell was used. The results indicated that N 2 O adsorption properties were associated with the surface oxygen vacancies. The presence of a surface oxygen vacancy, prepared by removing one O SUF atom from [Formula: see text] supercell, makes the N 2 O decomposition possible, which was believed to occur at a oxygen vacancy site. The N 2 O decomposition at the surface oxygen vacant site depends on whether the molecule is adsorbed with the O - or N -end on a vacancy. For the first case, the reaction proceeds spontaneously, which leads to an ejection of N 2 from the surface and the rest of the oxygen atoms occupying the vacancy. In the second case, even though there is an elongation of both N – N and N – O bonds, the dissociation is unfeasible due to very small adsorption energy and high activation energy. The role of the defective surface with surface oxygen vacancy is to provide electrons to the adsorbed molecule.

The role of surface lattice defects of CeO2−δ nanoparticles as a scavenging redox catalyst in polymer electrolyte membrane fuel cells

2020 ◽  
Vol 8 (48) ◽  
pp. 26023-26034
Author(s):  
Aniket Kumar ◽  
Jaewoon Hong ◽  
Yejin Yun ◽  
Aman Bhardwaj ◽  
Sun-Ju Song
Keyword(s):  
Fuel Cells ◽  
Oxygen Vacancy ◽  
Polymer Electrolyte ◽  
Vacancy Concentration ◽  
Polymer Electrolyte Membrane ◽  
Oxygen Vacancy Concentration ◽  
Electrolyte Membrane ◽  
Redox Catalyst ◽  
Nafion Film

Due to higher oxygen vacancy concentration and trivalent lattice cerium concentration , ceria (CeO2−δ) incorporated Nafion film shows better durability (4.2 times) than pure Nafion film.

Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): role of surface O-vacancies

RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 92241-92251 ◽  
Author(s):  
Ganes Shukri ◽  
Wilson Agerico Diño ◽  
Hermawan K. Dipojono ◽  
Mohammad Kemal Agusta ◽  
Hideaki Kasai
Keyword(s):  
Density Functional Theory ◽  
Titanium Dioxide ◽  
Oxygen Vacancy ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Molecular Adsorption ◽  
Surface Oxygen ◽  
Functional Theory ◽  
Surface Oxygen Vacancy

A density functional theory (DFT)-based study of ethylene (C2H4) adsorption on a reduced anatase titanium dioxide (TiO2) (001) surface, i.e., with a surface oxygen vacancy (Ovac), is presented.

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