Computer simulation of defects and oxygen transport in yttria-stabilized zirconia

QR Code

Computer simulation of defects and oxygen transport in yttria-stabilized zirconia

We have used molecular dynamics simulations and energy minimization calculations to examine defect energetics and oxygen diffusion in yttria-stabilized zirconia (YSZ). Oxygen vacancies prefer to be second nearest neighbors to yttrium dopants. The oxygen diffusion coefficient shows a peak at 8 mol% y...

Full description

Bibliographic Details
Main Authors:	Devanathan, R., Weber, W., Singhal, S., Gale, Julian
Format:	Journal Article
Published:	Elsevier 2006
Subjects:	Oxygen transport Defect energetics Yttria-stabilized zirconia Keywords: Solid oxide fuel cell Molecular dynamics
Online Access:	http://hdl.handle.net/20.500.11937/35063

Similar Items

Mechanical Properties of 8 Mole% Yttria-Stabilised Zirconia for Solid Oxide Fuel Cells
by: Mawson, A., et al.
Published: (2006)

Microstructure and phase stability of suspension high velocity oxy-fuel sprayed yttria stabilised zirconia coatings from aqueous and ethanol based suspensions
by: Bai, M., et al.
Published: (2017)

Optimized preparation conditions of yttria doped zirconia coatings on potassium ferrate (VI) electrode for alkaline super-iron battery
by: Zhang, Y., et al.
Published: (2012)

A rechargeable high-temperature molten salt iron-oxygen battery
by: Peng, Cheng, et al.
Published: (2018)

CO2 and water vapor-tolerant yttria stabilized bismuth oxide (YSB) membranes with external short circuit for oxygen separation with CO2 capture at intermediate temperatures
by: Zhang, K, et al.
Published: (2013)

Controlling precipitation of value added zirconia
by: Carter, Geoffrey A.
Published: (2009)

Processing and characterization of atz and ysz-graphene composites for fabrication of mems scale microthruster
by: Markandan, Kalaimani
Published: (2017)

The influence of impurity ions on the permeation and oxygen reduction properties of Ba0.5Sr0.5Co0.8Fe0.2O3-[delta] perovskite
by: Chen, Y., et al.
Published: (2014)

Novel co-precipitated oxygen carriers for chemical looping combustion of gaseous fuel
by: Ekpe, Ngozi Chinwe
Published: (2017)

Defect interactions and ionic transport in scandia stabilized zirconia
by: Devanathan, R, et al.
Published: (2009)

Performance and stability of nano-structured Pd and Pd0.95M0.05 (M = Mn, Co, Ce, and Gd) infiltrated Y2O3-ZrO2 oxygen electrodes of solid oxide electrolysis cells
by: Ai, Na, et al.
Published: (2013)

Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2
by: Cheng, Z., et al.
Published: (2013)

Facilitating Oxygen Redox on Manganese Oxide Nanosheets by Tuning Active Species and Oxygen Defects for Zinc-Air Batteries
by: Zhong, Yijun, et al.
Published: (2020)

Identification of oxygen reduction processes at (La,Sr)MnO3 electrode/La9.5Si6O26.25 apatite electrolyte interface of solid oxide fuel cells
by: Cao, X., et al.
Published: (2013)

Polarization Promoted Chemical Reaction between Ba0.5Sr0.5Co0.8Fe0.2O3-δ Cathode and Ceria Based Electrolytes of Solid Oxide Fuel Cells
by: Yung, H., et al.
Published: (2012)

Effect of Volatile Boron Species on the Electrocatalytic Activity of Cathodes of Solid Oxide Fuel Cells: III. Ba0.5Sr0.5Co0.8Fe0.2O3-δ Electrodes
by: Chen, Kongfa, et al.
Published: (2014)

Reasons for the high stability of nano-structured (La,Sr)MnO3 infiltrated Y2O3–ZrO2 composite oxygen electrodes of solid oxide electrolysis cells
by: Chen, Kongfa, et al.
Published: (2012)

Performance and structural stability of Gd0.2Ce0.8O1.9 infiltrated La0.8Sr0.2MnO3 nanostructured oxygen electrodes of solid oxide electrolysis cells
by: Chen, Kongfa, et al.
Published: (2014)

Effect of volatile boron species on the electrocatalytic activity of cathodes of solid oxide fuel cells I. (La,Sr)MnO3 based electrodes
by: Chen, Kongfa, et al.
Published: (2013)

Pd-YSZ composite cathodes for oxygen reduction reaction of intermediate-temperature solid oxide fuel cells
by: Liang, F., et al.
Published: (2011)

Co2MnO4 spinel-palladium co-infiltrated La 0.7Ca0.3Cr0.5Mn0.5O 3-[delta] cathodes for intermediate temperature solid oxide fuel cells
by: He, H., et al.
Published: (2011)

From Zironyl Chloride to Zirconia Ceramics, a Plant Operation Perspective
by: Carter, Geoffrey, et al.
Published: (2008)

Developing cathode and electrolyte materials for intermediate temperature solid oxide fuel cells
by: Liu, Tian-Hui
Published: (2020)

Composition and microstructure optimization and operation stability of barium deficient Ba1-xCo0.7Fe0.2Nb0.1O3-delta perovskite oxide electrodes
by: Wang, F., et al.
Published: (2013)

Wear of zirconia-dispersed alumina at ambient temperature, 140C and 250C
by: Carter, Geoffrey, et al.
Published: (2006)

Combustion flame spray of CoNiCrAlY & YSZ coatings
by: Fanicchia, F., et al.
Published: (2017)

Performance and stability of La0.8Sr0.2MnO3 cathode promoted with palladium based catalysts in solid oxide fuel cells
by: Babaei, A., et al.
Published: (2011)

Failure mechanism of (La,Sr)MnO3 oxygen electrodes of solid oxide electrolysis cells
by: Chen, Kongfa, et al.
Published: (2011)

A top-down strategy for the synthesis of mesoporous Ba0.5Sr0.5Co0.8Fe0.2O3-δ as a cathode precursor for buffer layer-free deposition on stabilized zirconia electrolyte with a superior electrochemical performance
by: Su, C., et al.
Published: (2015)

Effect of strontium content on chromium deposition and poisoning in Ba1-xSrxCo0.8Fe0.2O3-δ (0.3≤ x ≤0.7) cathodes of solid oxide fuel cells
by: Kim, Y., et al.
Published: (2012)

Synthesis of flake-shaped NiO-YSZ particles for high-porosity anode of solid oxide fuel cell
by: Wu, Y., et al.
Published: (2011)

Performance stability and degradation mechanism of La0.6Sr0.4Co0.2Fe0.8O3-δ cathodes under solid oxide fuel cells operation conditions
by: Liu, Y., et al.
Published: (2014)

A novel ketone diet enhances physical and cognitive performance
by: Murray, Andrew J., et al.
Published: (2016)

Performance and stability of (La,Sr)MnO3-Y2O3-ZrO2 composite oxygen electrodes under solid oxide electrolysis cell operation conditions
by: Chen, Kongfa, et al.
Published: (2012)

Synthesis of cathode materials for solid oxide fuel cells with eggshell membrane as template
by: Dong, Dehua, et al.
Published: (2010)

Ammonia-mediated suppression of coke formation in direct-methane solid oxide fuel cells with nickel-based anodes
by: Wang, Wei, et al.
Published: (2013)

Atomistic models of carbonate minerals: bulk and surface structures, defects, and diffusion
by: Cygan, R., et al.
Published: (2002)

Greenly synthesised biocompatible graphene/zirconia nanocomposite: towards the development of a biosensor for the detection of lung cancer biomarkers
by: Lin, Lih Poh
Published: (2022)

The prevalence and survival of children with congenital septal defects in the UK using CPRD
by: Onuwe, Toluwalope Yetunde
Published: (2022)

TITLE: An informative study of data migration between repositories utilising JSON, OAI-PMH/ORE and Dublin Core/RIOXX metadata standards (Everything Version)
by: CREATORS_FN: Green, CREATORS_GN: Jonathan, et al.
Published: (2018)