Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

Mamontov, Eugene

doi:10.1016/j.ssi.2016.09.022

Title: Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

Abstract

In this paper, we present the first, to our knowledge, study of solid state oxygen translational diffusion by quasielastic neutron scattering. Such studies in the past might have been precluded by relatively low diffusivities of oxygen anions in the temperature range amenable to neutron scattering experiments. To explore the potential of the quasielastic scattering technique, which can deduce atomic diffusion jump length of oxygen anions through the momentum transfer dependence of the scattering signal, we have selected the fastest known oxygen conductor, bismuth oxide. Finally, we have found the oxygen anion jump length in excellent agreement with the nearest oxygen-vacancy distance in the anion sublattice of the fluorite-related structure of bismuth oxide.

Authors:

Mamontov, Eugene ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Sciences Directorate. Chemical and Engineering Materials Division

Publication Date:: Sat Sep 24 00:00:00 EDT 2016

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1327676

Alternate Identifier(s):: OSTI ID: 1397042

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Solid State Ionics

Additional Journal Information:: Journal Volume: 296; Journal ID: ISSN 0167-2738

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; Oxygen diffusion; Quasielastic neutron scattering

Citation Formats


                    Mamontov, Eugene. Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering.  United States: N. p., 2016. 
Web.  doi:10.1016/j.ssi.2016.09.022.

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                    Mamontov, Eugene. Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering.  United States.  https://doi.org/10.1016/j.ssi.2016.09.022

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                    Mamontov, Eugene. Sat .  
"Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering".  United States.  https://doi.org/10.1016/j.ssi.2016.09.022.  https://www.osti.gov/servlets/purl/1327676.

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@article{osti_1327676,

  title        = {Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering},

  author       = {Mamontov, Eugene},

  abstractNote = {In this paper, we present the first, to our knowledge, study of solid state oxygen translational diffusion by quasielastic neutron scattering. Such studies in the past might have been precluded by relatively low diffusivities of oxygen anions in the temperature range amenable to neutron scattering experiments. To explore the potential of the quasielastic scattering technique, which can deduce atomic diffusion jump length of oxygen anions through the momentum transfer dependence of the scattering signal, we have selected the fastest known oxygen conductor, bismuth oxide. Finally, we have found the oxygen anion jump length in excellent agreement with the nearest oxygen-vacancy distance in the anion sublattice of the fluorite-related structure of bismuth oxide.},

  doi          = {10.1016/j.ssi.2016.09.022},

  journal      = {Solid State Ionics},

  number       = ,

  volume       = 296,

  place        = {United States},

  year         = {Sat Sep 24 00:00:00 EDT 2016},

  month        = {Sat Sep 24 00:00:00 EDT 2016}

}

Copy to clipboard

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https://doi.org/10.1016/j.ssi.2016.09.022

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Works referenced in this record:

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Works referencing / citing this record:

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DOI: 10.1021/jacs.9b03743

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Title: Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

Abstract

Citation Formats

Bismuth based oxide electrolytes— structure and ionic conductivity journal, August 1999

Structures and Oxide Mobility in Bi−Ln−O Materials: Heritage of Bi 2 O 3 journal, January 2007

�ber Wismutoxide. III. Die Kristallstruktur der Hochtemperaturmodifikation von Wismut(III)-oxid (?-Bi2O3) journal, October 1962

On the Structure of Bismuthsesquioxide: The ?, ?, ?, and ?-phase journal, September 1978

Powder Diffraction Patterns and Structures of the Bismuth Oxides journal, November 1978

High oxygen ion conduction in sintered oxides of the Bi2O3Ln2O3 system journal, August 1981

The structural properties of the oxygen conducting δ phase of Bi 2 O 3 journal, June 1983

Computer simulation of δ-bismuth oxide journal, January 1986

Structural and dynamical studies of δ-Bi2O3 oxide ion conductors journal, June 1986

Structural and dynamical studies of δ-Bi2O3 oxide-ion conductors journal, March 1987

Computational simulations of δ-Bi2O3. I. Disorder journal, May 1987

Computational simulation of δ-Bi2O3. II. Charge migration journal, May 1987

Computational simulations of δ-Bi2O3. III. A comparative study of static lattice models journal, May 1987

Electronic structure and chemical bonding in δ-Bi2O3 journal, September 1996

Neutron diffraction study of occupancy and positional order of oxygen ions in phase stabilized cubic bismuth oxides journal, January 2001

Effect of oxygen sublattice ordering on interstitial transport mechanism and conductivity activation energies in phase-stabilized cubic bismuth oxides journal, March 2001

Theoretical investigation of the pure and Zn-doped α and δ phases of Bi 2 O 3 journal, May 2002

Crystal structure and disorder of the fast oxide-ion conductor cubic Bi2O3 journal, September 2003

Electronic structure of the α and δ phases of Bi 2 O 3 : A combined ab initio and x-ray spectroscopy study journal, June 2006

Vacancy-Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis journal, July 2008

Structure of δ-Bi2O3 from density functional theory: A systematic crystallographic analysis journal, May 2009

Oxygen vacancy configuration of δ-Bi 2 O 3 : an ab initio study journal, January 2009

Equilibrium structure of δ-Bi 2 O 3 from first principles journal, March 2009

Ab initio molecular dynamics simulations of oxide-ion disorder in the δ -Bi 2 O 3 journal, July 2009

Oxide-Ion Disorder Within the High Temperature δ Phase of Bi 2 O 3 journal, April 2009

Neutron total scattering study of the δ and β phases of Bi2O3 journal, January 2009

Oxygen Ion Diffusion and Surface Exchange Properties of the α- and δ-phases of Bi 2 O 3 journal, March 2014

Nanoscale Heterogeneities and Oxygen Storage Capacity of Ce 0.5 Zr 0.5 O 2 journal, November 2003

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering journal, January 2015

Oxygen mobility in the perovskite SrTi 1 − x Fe x O 3 − δ ( x = 0.8 ) journal, December 2006

First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi 2 O 3 journal, October 2012

Observation of fragile-to-strong liquid transition in surface water in CeO2 journal, November 2005

Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations journal, February 2007

A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS journal, August 2011

Structural defects in a nano-scale powder of CeO 2 studied by pulsed neutron diffraction journal, August 2000

Lattice Defects and Oxygen Storage Capacity of Nanocrystalline Ceria and Ceria-Zirconia journal, November 2000

Temperature Dependence of Lattice Parameters and Anisotropic Thermal Expansion of Bismuth Oxide: Communications of the American Ceramic Society journal, May 2005

Molecular Dynamics Simulation of the Fast Ion Conductor δ-Bi 2 o 3 journal, May 1989

Visualization of the diffusion path in the fast oxide-ion conductor Bi1.4Yb0.6O3 journal, November 2005

Anion disorder and ionic motion in lead fluoride (β-PbF2) journal, December 1980

Study on electrical conductivity and oxygen migration of the oxide-ion conductors $$\hbox {Na}_{0.5}\hbox {Bi}_{0.5}\hbox {Ti}_{1-x}\hbox {Mg}_{{x}}\hbox {O}_{3-x}$$ Na 0.5 Bi 0.5 Ti 1 - x Mg x O 3 - x journal, March 2019

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Insight into Design of Improved Oxide Ion Conductors: Dynamics and Conduction Mechanisms in the Bi0.913V0.087O1.587 Solid Electrolyte journal, June 2019

Bismuth based oxide electrolytes— structure and ionic conductivity
journal, August 1999

Structures and Oxide Mobility in Bi−Ln−O Materials: Heritage of Bi ₂ O ₃
journal, January 2007

�ber Wismutoxide. III. Die Kristallstruktur der Hochtemperaturmodifikation von Wismut(III)-oxid (?-Bi2O3)
journal, October 1962

On the Structure of Bismuthsesquioxide: The ?, ?, ?, and ?-phase
journal, September 1978

Powder Diffraction Patterns and Structures of the Bismuth Oxides
journal, November 1978

High oxygen ion conduction in sintered oxides of the Bi2O3Ln2O3 system
journal, August 1981

The structural properties of the oxygen conducting δ phase of Bi ₂ O ₃
journal, June 1983

Computer simulation of δ-bismuth oxide
journal, January 1986

Structural and dynamical studies of δ-Bi2O3 oxide ion conductors
journal, June 1986

Structural and dynamical studies of δ-Bi2O3 oxide-ion conductors
journal, March 1987

Computational simulations of δ-Bi2O3. I. Disorder
journal, May 1987

Computational simulation of δ-Bi2O3. II. Charge migration
journal, May 1987

Computational simulations of δ-Bi2O3. III. A comparative study of static lattice models
journal, May 1987

Electronic structure and chemical bonding in δ-Bi2O3
journal, September 1996

Neutron diffraction study of occupancy and positional order of oxygen ions in phase stabilized cubic bismuth oxides
journal, January 2001

Effect of oxygen sublattice ordering on interstitial transport mechanism and conductivity activation energies in phase-stabilized cubic bismuth oxides
journal, March 2001

Theoretical investigation of the pure and Zn-doped $α$ and $δ$ phases of ${Bi}_{2} O_{3}$
journal, May 2002

Crystal structure and disorder of the fast oxide-ion conductor cubic Bi2O3
journal, September 2003

Electronic structure of the $α$ and $δ$ phases of ${Bi}_{2} O_{3}$ : A combined ab initio and x-ray spectroscopy study
journal, June 2006

Vacancy-Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis
journal, July 2008

Structure of δ-Bi2O3 from density functional theory: A systematic crystallographic analysis
journal, May 2009

Oxygen vacancy configuration of δ-Bi ₂ O ₃ : an ab initio study
journal, January 2009

Equilibrium structure of δ-Bi ₂ O ₃ from first principles
journal, March 2009

Ab initio molecular dynamics simulations of oxide-ion disorder in the $δ {-Bi}_{2} O_{3}$
journal, July 2009

Oxide-Ion Disorder Within the High Temperature $δ$ Phase of ${Bi}_{2} O_{3}$
journal, April 2009

Neutron total scattering study of the δ and β phases of Bi2O3
journal, January 2009

Oxygen Ion Diffusion and Surface Exchange Properties of the α- and δ-phases of Bi ₂ O ₃
journal, March 2014

Nanoscale Heterogeneities and Oxygen Storage Capacity of Ce _0.5 Zr _0.5 O ₂
journal, November 2003

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering
journal, January 2015

Oxygen mobility in the perovskite ${SrTi}_{1 - x} {Fe}_{x} O_{3 - δ} (x = 0.8)$
journal, December 2006

First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi ₂ O ₃
journal, October 2012

Observation of fragile-to-strong liquid transition in surface water in CeO2
journal, November 2005

Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations
journal, February 2007

A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS
journal, August 2011

Structural defects in a nano-scale powder of CeO 2 studied by pulsed neutron diffraction
journal, August 2000

Lattice Defects and Oxygen Storage Capacity of Nanocrystalline Ceria and Ceria-Zirconia
journal, November 2000

Temperature Dependence of Lattice Parameters and Anisotropic Thermal Expansion of Bismuth Oxide: Communications of the American Ceramic Society
journal, May 2005

Molecular Dynamics Simulation of the Fast Ion Conductor δ-Bi ₂ o ₃
journal, May 1989

Visualization of the diffusion path in the fast oxide-ion conductor Bi1.4Yb0.6O3
journal, November 2005

Anion disorder and ionic motion in lead fluoride (β-PbF2)
journal, December 1980

Study on electrical conductivity and oxygen migration of the oxide-ion conductors $$\hbox {Na}_{0.5}\hbox {Bi}_{0.5}\hbox {Ti}_{1-x}\hbox {Mg}_{{x}}\hbox {O}_{3-x}$$ Na 0.5 Bi 0.5 Ti 1 - x Mg x O 3 - x
journal, March 2019

Brownmillerite-Type Sr₂ScGaO₅ Oxide Ion Conductor: Local Structure, Phase Transition, and Dynamics
journal, August 2019

Insight into Design of Improved Oxide Ion Conductors: Dynamics and Conduction Mechanisms in the Bi_0.913V_0.087O_1.587 Solid Electrolyte
journal, June 2019