Results 11 to 20 of about 82,519 (298)
Oxygen vacancy mediated bismuth-based photocatalysts
Advanced Powder MaterialsSunlight-driven photocatalysis, which can produce clean fuels and mitigate environmental pollution, has received extensive research attention due to its potential for addressing both energy shortages and environmental crises.
Jiaqi Tian +5 more
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Oxygen Vacancy, Oxygen Vacancy–Vacancy Pairs, and Frenkel Defects in Cubic Lutetium Oxide [PDF]
The Journal of Physical Chemistry C, 2020 Electronic and structural properties of cubic Lu2O3 with either single oxygen vacancy, oxygen vacancy-vacancy pair or a Frenkel pair (oxygen vacancy and interstitial oxygen) were analyzed using ab ...
A. Shyichuk, E. Zych
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Electric field-induced oxygen vacancies in YBa2Cu3O7 [PDF]
The Journal of Chemical Physics, 2021 The microscopic doping mechanism behind the superconductor-to-insulator transition of a thin film of YBa2Cu3O7 was recently identified as due to the migration of O atoms from the CuO chains of the film. Here, we employ density-functional theory calculations to study the evolution of the electronic structure of a slab of YBa2Cu3O7 in the presence of ...
A. Lorenzo Mariano, Roberta Poloni
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Oxygen Vacancies in Perovskite Oxide Piezoelectrics [PDF]
Materials, 2020 The excellent electro-mechanical properties of perovskite oxide ferroelectrics make these materials major piezoelectrics. Oxygen vacancies are believed to easily form, migrate, and strongly affect ferroelectric behavior and, consequently, the piezoelectric performance of these materials and devices based thereon.
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Oxygen Vacancies Nucleate Charged Domain Walls in Ferroelectrics [PDF]
Physical Review Letters, 2021 We study the influence of oxygen vacancies on the formation of charged 180$^\circ$ domain walls in ferroelectric BaTiO$_3$ using first principles calculations. We show that it is favorable for vacancies to assemble in crystallographic planes, and that such clustering is accompanied by the formation of a charged domain wall. The domain wall has negative
Petralanda, Urko +3 more
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Orienting Oxygen Vacancies for Fast Catalytic Reaction [PDF]
Advanced Materials, 2013 Catalysis is indispensable to chemical processes and relevant to many aspects of modern life. Owing to the intriguing electronic structures and good ionic properties, multivalent transition metal oxides have attracted attention as key catalysts for various energy and environmental applications.
Jeen, Hyoungjeen +6 more
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Charge-Transfer Induced by the Oxygen Vacancy Defects in the Ag/MoO3 Composite System
Nanomaterials, 2021 In this paper, an Ag/MoO3 composite system was cosputtered by Ar plasma bombardment on a polystyrene (PS) colloidal microsphere array. The MoO3 formed by this method contained abundant oxygen vacancy defects, which provided a channel for charge transfer ...
Qi Chu +7 more
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Thermodynamics of mono and di-vacancies in barium titanate [PDF]
, 2012 The thermodynamic and kinetic properties of mono and di-vacancy defects in cubic (para-electric) barium titanate are studied by means of density-functional theory calculations. It is determined which vacancy types prevail for given thermodynamic boundary
Albe, Karsten, Erhart, Paul
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Sensors, 2017 The density of oxygen vacancies in semiconductor gas sensors was often assumed to be identical throughout the grain in the numerical discussion of the gas-sensing mechanism of the devices.
Jianqiao Liu +5 more
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Intrinsic Oxygen Vacancy and Extrinsic Aluminium Dopant Interplay: A Route to the Restoration of Defective TiO$_2$ [PDF]
, 2014 Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface.
Bowler, David R., O'Rourke, Conn
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