Microstructure design for fast oxygen conduction

Aidhy, Dilpuneet S.; Weber, William J.

doi:10.1557/jmr.2015.327

Title: Microstructure design for fast oxygen conduction

Abstract

Research from the last decade has shown that in designing fast oxygen conducting materials for electrochemical applications has largely shifted to microstructural features, in contrast to material-bulk. In particular, understanding oxygen energetics in heterointerface materials is currently at the forefront, where interfacial tensile strain is being considered as the key parameter in lowering oxygen migration barriers. Nanocrystalline materials with high densities of grain boundaries have also gathered interest that could possibly allow leverage over excess volume at grain boundaries, providing fast oxygen diffusion channels similar to those previously observed in metals. In addition, near-interface phase transformations and misfit dislocations are other microstructural phenomenon/features that are being explored to provide faster diffusion. In this review, the current understanding on oxygen energetics, i.e., thermodynamics and kinetics, originating from these microstructural features is discussed. Moreover, our experimental observations, theoretical predictions and novel atomistic mechanisms relevant to oxygen transport are highlighted. In addition, the interaction of dopants with oxygen vacancies in the presence of these new microstructural features, and their future role in the design of future fast-ion conductors, is outlined.

Authors:

Aidhy, Dilpuneet S. ^[1]; Weber, William J. ^[2]

Univ. of Wyoming, Laramie, WY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Wed Nov 11 00:00:00 EST 2015

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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

OSTI Identifier:: 1265831

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Materials Research

Additional Journal Information:: Journal Volume: 31; Journal Issue: 01; Journal ID: ISSN 0884-2914

Publisher:: Materials Research Society

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Oxygen conductivity; Diffusion; Microstructure

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                    Aidhy, Dilpuneet S., and Weber, William J. Microstructure design for fast oxygen conduction.  United States: N. p., 2015. 
Web.  doi:10.1557/jmr.2015.327.

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                    Aidhy, Dilpuneet S., & Weber, William J. Microstructure design for fast oxygen conduction.  United States.  https://doi.org/10.1557/jmr.2015.327

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                    Aidhy, Dilpuneet S., and Weber, William J. Wed .  
"Microstructure design for fast oxygen conduction".  United States.  https://doi.org/10.1557/jmr.2015.327.  https://www.osti.gov/servlets/purl/1265831.

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@article{osti_1265831,

  title        = {Microstructure design for fast oxygen conduction},

  author       = {Aidhy, Dilpuneet S. and Weber, William J.},

  abstractNote = {Research from the last decade has shown that in designing fast oxygen conducting materials for electrochemical applications has largely shifted to microstructural features, in contrast to material-bulk. In particular, understanding oxygen energetics in heterointerface materials is currently at the forefront, where interfacial tensile strain is being considered as the key parameter in lowering oxygen migration barriers. Nanocrystalline materials with high densities of grain boundaries have also gathered interest that could possibly allow leverage over excess volume at grain boundaries, providing fast oxygen diffusion channels similar to those previously observed in metals. In addition, near-interface phase transformations and misfit dislocations are other microstructural phenomenon/features that are being explored to provide faster diffusion. In this review, the current understanding on oxygen energetics, i.e., thermodynamics and kinetics, originating from these microstructural features is discussed. Moreover, our experimental observations, theoretical predictions and novel atomistic mechanisms relevant to oxygen transport are highlighted. In addition, the interaction of dopants with oxygen vacancies in the presence of these new microstructural features, and their future role in the design of future fast-ion conductors, is outlined.},

  doi          = {10.1557/jmr.2015.327},

  journal      = {Journal of Materials Research},

  number       = 01,

  volume       = 31,

  place        = {United States},

  year         = {Wed Nov 11 00:00:00 EST 2015},

  month        = {Wed Nov 11 00:00:00 EST 2015}

}

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Works referencing / citing this record:

When two become one: An insight into 2D conductive oxide interfaces
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Pryds, Nini; Esposito, Vincenzo
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Perovskite oxides – a review on a versatile material class for solar-to-fuel conversion processes
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An Interdisciplinary View of Interfaces: Perspectives Regarding Emergent Phase Formation
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Brinkman, Kyle S.
Journal of Electrochemical Energy Conversion and Storage, Vol. 15, Issue 1
DOI: 10.1115/1.4037583

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Title: Microstructure design for fast oxygen conduction

Abstract

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“Stretching” the energy landscape of oxides—Effects on electrocatalysis and diffusion journal, February 2014

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Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces journal, September 2014

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Grain Growth in CeO2: Dopant Effects, Defect Mechanism, and Solute Drag journal, July 1996

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

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Oxide Thermoelectric Materials: A Nanostructuring Approach journal, June 2010

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Effects of thickness on the cation segregation in epitaxial (001) and (110) La2/3Ca1/3MnO3 thin films journal, August 2009

Zirconia-based solid electrolytes: microstructure, stability and ionic conductivity journal, May 1992

Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries journal, January 2008

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Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects journal, February 2015

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Functional oxide interfaces journal, December 2013

Electrical conductivity of stabilized zirconia with ytterbia and scandia journal, July 1995

Defect cluster formation in M2O3-doped CeO2 journal, January 1999

Ionic conduction in nanocrystalline materials journal, June 2000

High temperature conductivity studies on nanoscale yttria-doped zirconia thin films and size effects journal, October 2006

Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7 journal, November 2015

Elastic strain engineering for unprecedented materials properties journal, February 2014

Lowering the Temperature of Solid Oxide Fuel Cells journal, November 2011

Microstructure–electrical conductivity relationships in nanocrystalline ceria thin films journal, November 2002

Defect and transport properties of nanocrystalline CeO 2− x journal, July 1996

The Oxygen Permeation Properties of Nanocrystalline CeO[sub 2] Thin Films journal, January 2010

Electrical conductivity of the ZrO2–Ln2O3 (Ln=lanthanides) system journal, June 1999

Strain-controlled oxygen vacancy formation and ordering in CaMnO 3 journal, August 2013

Colossal Ionic Conductivity at Interfaces of Epitaxial ZrO2:Y2O3/SrTiO3 Heterostructures journal, August 2008

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Structure of multilayer ZrO2/SrTiO3 journal, October 2011

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Can we achieve significantly higher ionic conductivity in nanostructured zirconia? journal, July 2011

Single crystalline Sc2O3/Y2O3 heterostructures as novel engineered buffer approach for GaN integration on Si (111) journal, September 2010

Direct evidence of dopant segregation in Gd-doped ceria journal, February 2011

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Switchable Induced Polarization in LaAlO ₃ /SrTiO ₃ Heterostructures
journal, January 2012

Molecular dynamics study of the effect of doping and disorder on diffusion in gadolinium zirconate
journal, October 1998

“Stretching” the energy landscape of oxides—Effects on electrocatalysis and diffusion
journal, February 2014

Atomic structure of misfit dislocations in nonpolar ZnO/Al2O3 heterostructures
journal, September 2010

Nanostructured WO ₃ /BiVO ₄ Heterojunction Films for Efficient Photoelectrochemical Water Splitting
journal, May 2011

Enhanced oxygen diffusivity in interfaces of nanocrystalline ZrO2*Y2O3
journal, March 2003

Measurement of the across-plane conductivity of YSZ thin films on silicon
journal, March 2012

¹⁸ O-tracer diffusion along nanoscaled Sc ₂ O ₃ /yttria stabilized zirconia (YSZ) multilayers: on the influence of strain
journal, March 2013

Mobility of oxygen vacancy in SrTiO ₃ and its implications for oxygen-migration-based resistance switching
journal, August 2011

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces
journal, September 2014

Ionic conductivities, sintering temperatures and microstructures of bulk ceramic CeO2 doped with Y2O3
journal, October 2000

Magnetic effects at the interface between non-magnetic oxides
journal, June 2007

Structural phases driven by oxygen vacancies at the La _0.7 Sr _0.3 MnO ₃ /SrTiO ₃ hetero-interface
journal, January 2015

Low-Temperature Superionic Conductivity in Strained Yttria-Stabilized Zirconia
journal, May 2010

Stabilizing nanocrystalline grains in ceramic-oxides
journal, January 2013

Higher conductivity Sm3+ and Nd3+ co-doped ceria-based electrolyte materials
journal, February 2008

Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations
journal, March 2015

Structure and ionic conductivity of nanoscale gadolinia-doped ceria thin films
journal, November 2013

Review of A2B2O7 pyrochlore response to irradiation and pressure
journal, October 2010

Grain Growth in CeO2: Dopant Effects, Defect Mechanism, and Solute Drag
journal, July 1996

Low-temperature solid-oxide fuel cells
journal, September 2014

The limiting factor for oxygen exchange at the surface of fuel cell electrolytes
journal, January 2003

Ionic conductivity and activation energy for oxygen ion transport in superlattices—the semicoherent multilayer system YSZ (ZrO2 + 9.5 mol% Y2O3)/Y2O3
journal, January 2008

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

Segregation Effects at Grain Boundaries in Fluorite-Structured Ceramics
journal, September 2002

Oxide-Ion Electrolytes
journal, August 2003

(001) SrTiO ₃ | (001) MgO Interface and Oxygen-Vacancy Stability from First-Principles Calculations
journal, August 2014

Oxide Thermoelectric Materials: A Nanostructuring Approach
journal, June 2010

Emergent phenomena at oxide interfaces
journal, January 2012

Effects of thickness on the cation segregation in epitaxial (001) and (110) La2/3Ca1/3MnO3 thin films
journal, August 2009

Zirconia-based solid electrolytes: microstructure, stability and ionic conductivity
journal, May 1992

Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries
journal, January 2008

Radiation damage tolerant nanomaterials
journal, November 2013

Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects
journal, February 2015

Seeing oxygen disorder in YSZ/SrTiO ₃ colossal ionic conductor heterostructures using EELS
journal, June 2011

Room-Temperature Giant Persistent Photoconductivity in SrTiO ₃ /LaAlO ₃ Heterostructures
journal, January 2012

Giant thermoelectric Seebeck coefficient of a two-dimensional electron gas in SrTiO3
journal, January 2007

Functional oxide interfaces
journal, December 2013

Electrical conductivity of stabilized zirconia with ytterbia and scandia
journal, July 1995

Defect cluster formation in M2O3-doped CeO2
journal, January 1999

Ionic conduction in nanocrystalline materials
journal, June 2000

High temperature conductivity studies on nanoscale yttria-doped zirconia thin films and size effects
journal, October 2006

Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7
journal, November 2015

Elastic strain engineering for unprecedented materials properties
journal, February 2014

Lowering the Temperature of Solid Oxide Fuel Cells
journal, November 2011

Microstructure–electrical conductivity relationships in nanocrystalline ceria thin films
journal, November 2002

Defect and transport properties of nanocrystalline CeO _{2− x}
journal, July 1996

The Oxygen Permeation Properties of Nanocrystalline CeO[sub 2] Thin Films
journal, January 2010

Electrical conductivity of the ZrO2–Ln2O3 (Ln=lanthanides) system
journal, June 1999

Strain-controlled oxygen vacancy formation and ordering in CaMnO $_{3}$
journal, August 2013

Colossal Ionic Conductivity at Interfaces of Epitaxial ZrO2:Y2O3/SrTiO3 Heterostructures
journal, August 2008

Investigation of scandia–yttria–zirconia system as an electrolyte material for intermediate temperature fuel cells—influence of yttria content in system (Y2O3)x(Sc2O3)(11−x)(ZrO2)89
journal, March 2004

Competing strain relaxation mechanisms in epitaxially grown Pr _0.48 Ca _0.52 MnO ₃ on SrTiO ₃
journal, October 2014

Assessment of Strain-Generated Oxygen Vacancies Using SrTiO ₃ Bicrystals
journal, May 2015

New insights into the origin of the oxide ionic diffusion change in strained lattices of yttria stabilized zirconia
journal, June 2015

Epitaxial Strain-Induced Chemical Ordering in La _0.5 Sr _0.5 CoO _3−δ Films on SrTiO ₃
journal, February 2011

Enhanced ionic conductivity and phase meta-stability of nano-sized thin film yttria-doped zirconia (YDZ)
journal, March 2009

The relevance of interfaces for oxide ion transport in yttria stabilized zirconia (YSZ) thin films
journal, January 2013

Enhancement of Ferroelectricity in Strained BaTiO₃ Thin Films
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Ceria-based solid electrolytes
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Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission
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Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors
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Elastic strain engineering of ferroic oxides
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Mesoscopic fast ion conduction in nanometre-scale planar heterostructures
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Effect of oxygen vacancies in the ${SrTiO}_{3}$ substrate on the electrical properties of the ${LaAlO}_{3} ∕ {SrTiO}_{3}$ interface
journal, March 2007

Crystal Structure-Ionic Conductivity Relationships in Doped Ceria Systems
journal, November 2009

Ionic conductivity of Ce1−xNdxO2−x/2
journal, March 2006

Strain-Induced Phase and Oxygen-Vacancy Stability in Ionic Interfaces from First-Principles Calculations
journal, December 2014

Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures
journal, June 2014

Impurity and vacancy segregation at symmetric tilt grain boundaries in Y2O3-doped ZrO2
journal, February 2011

Structure of multilayer ZrO2/SrTiO3
journal, October 2011

Materials for Intermediate-Temperature Solid-Oxide Fuel Cells
journal, July 2014

Optimization of ionic conductivity in doped ceria
journal, February 2006

Can we achieve significantly higher ionic conductivity in nanostructured zirconia?
journal, July 2011

Single crystalline Sc2O3/Y2O3 heterostructures as novel engineered buffer approach for GaN integration on Si (111)
journal, September 2010

Direct evidence of dopant segregation in Gd-doped ceria
journal, February 2011

On the Response of Ionic Crystals to Irradiation
journal, May 2013

Effect of total dopant concentration and dopant ratio on conductivity of (DyO1.5)x–(WO3)y–(BiO1.5)1−x−y
journal, January 2010

A study of oxygen ion conductivity in doped non-stoichiometric oxides
journal, May 1982

Misfit accommodation in oxide thin film heterostructures
journal, May 2013