Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide

doi:10.1103/PhysRevMaterials.2.075405

Title: Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide

Authors:: Yang, Jing; Youssef, Mostafa; Yildiz, Bilge

Publication Date:: 2018-07-26

Sponsoring Org.:: USDOE

OSTI Identifier:: 1461726

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 7; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Yang, Jing, Youssef, Mostafa, and Yildiz, Bilge. Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide.  United States: N. p., 2018. 
        Web.  doi:10.1103/PhysRevMaterials.2.075405.

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                    Yang, Jing, Youssef, Mostafa, & Yildiz, Bilge. Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide.  United States.  doi:10.1103/PhysRevMaterials.2.075405.

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                    Yang, Jing, Youssef, Mostafa, and Yildiz, Bilge. Thu .  
        "Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide".  United States.  doi:10.1103/PhysRevMaterials.2.075405.

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@article{osti_1461726,

  title        = {Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide},

  author       = {Yang, Jing and Youssef, Mostafa and Yildiz, Bilge},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.2.075405},

  journal      = {Physical Review Materials},

  number       = 7,

  volume       = 2,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: 10.1103/PhysRevMaterials.2.075405

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Works referenced in this record:

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Title: Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

The O−Zr (Oxygen-Zirconium) system journal, April 1986

Some thoughts on the mechanisms of in-reactor corrosion of zirconium alloys journal, February 2005

Highly Enhanced Concentration and Stability of Reactive Ce 3+ on Doped CeO 2 Surface Revealed In Operando journal, May 2012

The microstructure and microtexture of zirconium oxide films studied by transmission electron backscatter diffraction and automated crystal orientation mapping with transmission electron microscopy journal, November 2014

Doping in the Valley of Hydrogen Solubility: A Route to Designing Hydrogen-Resistant Zirconium Alloys journal, January 2016

Corrosion of Zirconium Alloys Used for Nuclear Fuel Cladding journal, July 2015

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal, September 1976

Intrinsic point-defect equilibria in tetragonal ZrO 2 : Density functional theory analysis with finite-temperature effects journal, October 2012

Alternative dielectrics to silicon dioxide for memory and logic devices journal, August 2000

Corrosion of zirconium alloys in concentrated lithium hydroxide solutions journal, August 2013

Lithium insertion into host materials: the key to success for Li ion batteries journal, September 1999

Nonstoichiometry in Oxide Thin Films Operating under Anodic Conditions: A Chemical Capacitance Study of the Praseodymium–Cerium Oxide System journal, November 2014

Compliance-Free ZrO2/ZrO2 − x /ZrO2 Resistive Memory with Controllable Interfacial Multistate Switching Behaviour journal, June 2017

Finite Elastic Strain of Cubic Crystals journal, June 1947

Oxygen Vacancy-Tuned Physical Properties in Perovskite Thin Films with Multiple B-site Valance States journal, April 2017

Pressure, relaxation volume, and elastic interactions in charged simulation cells journal, January 2015

Electron/hole and ion transport in La1−xSrxFeO3−δ journal, April 2003

The Compressibility of Media under Extreme Pressures journal, September 1944

Effect of Top Electrode Material on Resistive Switching Properties of $\hbox{ZrO}_{2}$ Film Memory Devices journal, May 2007

Voltage-Controlled Topotactic Phase Transition in Thin-Film SrCoO x Monitored by In Situ X-ray Diffraction journal, January 2016

Ab initiomolecular dynamics for liquid metals journal, January 1993

In-situ electrochemical study of Zr1nb alloy corrosion in high temperature Li + containing water journal, December 2015

Chemical Expansion: Implications for Electrochemical Energy Storage and Conversion Devices journal, July 2014

The Emerging Chemistry of Sodium Ion Batteries for Electrochemical Energy Storage journal, February 2015

Review of stress fields in Zirconium alloys corrosion scales journal, June 2015

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

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal, February 1997

Li-Ion Synaptic Transistor for Low Power Analog Computing journal, November 2016

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Stress measurements during thin film zirconium oxide growth journal, May 2011

Native defect formation and migration in monoclinic zirconium dioxide journal, November 2014

Structure and stability of ultrathin zirconium oxide layers on Si(001) journal, January 2000

Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO 2 journal, January 2014

Role of solid oxidefuel cells in a balanced energy strategy journal, January 2012

Metal/Metal-Oxide Interfaces: How Metal Contacts Affect the Work Function and Band Structure of MoO 3 journal, August 2012

Ion transport membrane technology for oxygen separation and syngas production journal, October 2000

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal, May 1994

Detrimental role of LiOH on the oxide film formed on Zircaloy-4 journal, July 2005

Corrosion characteristics and oxide microstructures of Zircaloy-4 in aqueous alkali hydroxide solutions journal, April 1999

Oxidation of Zircaloy-4 during in situ proton irradiation and corrosion in PWR primary water journal, March 2015

Pressurized water reactor fuel crud and corrosion modeling journal, August 2011

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations journal, January 2011

Thermomechanical stabilization of electron small polarons in SrTi O 3 assessed by the quasiharmonic approximation journal, April 2017

Understanding Chemical Expansion in Non-Stoichiometric Oxides: Ceria and Zirconia Case Studies journal, February 2012

Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations journal, January 2018

Generalized Gradient Approximation Made Simple
journal, October 1996

The O−Zr (Oxygen-Zirconium) system
journal, April 1986

Some thoughts on the mechanisms of in-reactor corrosion of zirconium alloys
journal, February 2005

Highly Enhanced Concentration and Stability of Reactive Ce ³⁺ on Doped CeO ₂ Surface Revealed In Operando
journal, May 2012

The microstructure and microtexture of zirconium oxide films studied by transmission electron backscatter diffraction and automated crystal orientation mapping with transmission electron microscopy
journal, November 2014

Doping in the Valley of Hydrogen Solubility: A Route to Designing Hydrogen-Resistant Zirconium Alloys
journal, January 2016

Corrosion of Zirconium Alloys Used for Nuclear Fuel Cladding
journal, July 2015

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Intrinsic point-defect equilibria in tetragonal ZrO $_{2}$ : Density functional theory analysis with finite-temperature effects
journal, October 2012

Alternative dielectrics to silicon dioxide for memory and logic devices
journal, August 2000

Corrosion of zirconium alloys in concentrated lithium hydroxide solutions
journal, August 2013

Lithium insertion into host materials: the key to success for Li ion batteries
journal, September 1999

Nonstoichiometry in Oxide Thin Films Operating under Anodic Conditions: A Chemical Capacitance Study of the Praseodymium–Cerium Oxide System
journal, November 2014

Compliance-Free ZrO2/ZrO2 − x /ZrO2 Resistive Memory with Controllable Interfacial Multistate Switching Behaviour
journal, June 2017

Finite Elastic Strain of Cubic Crystals
journal, June 1947

Oxygen Vacancy-Tuned Physical Properties in Perovskite Thin Films with Multiple B-site Valance States
journal, April 2017

Pressure, relaxation volume, and elastic interactions in charged simulation cells
journal, January 2015

Electron/hole and ion transport in La1−xSrxFeO3−δ
journal, April 2003

The Compressibility of Media under Extreme Pressures
journal, September 1944

Effect of Top Electrode Material on Resistive Switching Properties of $\hbox{ZrO}_{2}$ Film Memory Devices
journal, May 2007

Voltage-Controlled Topotactic Phase Transition in Thin-Film SrCoO _x Monitored by In Situ X-ray Diffraction
journal, January 2016

Ab initiomolecular dynamics for liquid metals
journal, January 1993

In-situ electrochemical study of Zr1nb alloy corrosion in high temperature Li + containing water
journal, December 2015

Chemical Expansion: Implications for Electrochemical Energy Storage and Conversion Devices
journal, July 2014

The Emerging Chemistry of Sodium Ion Batteries for Electrochemical Energy Storage
journal, February 2015

Review of stress fields in Zirconium alloys corrosion scales
journal, June 2015

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

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997

Li-Ion Synaptic Transistor for Low Power Analog Computing
journal, November 2016

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Stress measurements during thin film zirconium oxide growth
journal, May 2011

Native defect formation and migration in monoclinic zirconium dioxide
journal, November 2014

Structure and stability of ultrathin zirconium oxide layers on Si(001)
journal, January 2000

Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO $_{2}$
journal, January 2014

Role of solid oxidefuel cells in a balanced energy strategy
journal, January 2012

Metal/Metal-Oxide Interfaces: How Metal Contacts Affect the Work Function and Band Structure of MoO ₃
journal, August 2012

Ion transport membrane technology for oxygen separation and syngas production
journal, October 2000

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Detrimental role of LiOH on the oxide film formed on Zircaloy-4
journal, July 2005

Corrosion characteristics and oxide microstructures of Zircaloy-4 in aqueous alkali hydroxide solutions
journal, April 1999

Oxidation of Zircaloy-4 during in situ proton irradiation and corrosion in PWR primary water
journal, March 2015

Pressurized water reactor fuel crud and corrosion modeling
journal, August 2011

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations
journal, January 2011

Thermomechanical stabilization of electron small polarons in $SrTi O_{3}$ assessed by the quasiharmonic approximation
journal, April 2017

Understanding Chemical Expansion in Non-Stoichiometric Oxides: Ceria and Zirconia Case Studies
journal, February 2012

Oxygen self-diffusion mechanisms in monoclinic $Zr O_{2}$ revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations
journal, January 2018