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

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

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevMaterials.2.075405

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

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

  • Abriata, J. P.; Garcés, J.; Versaci, R.
  • Bulletin of Alloy Phase Diagrams, Vol. 7, Issue 2
  • DOI: 10.1007/BF02881546

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

  • Chueh, William C.; McDaniel, Anthony H.; Grass, Michael E.
  • Chemistry of Materials, Vol. 24, Issue 10
  • DOI: 10.1021/cm300574v

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

  • Kingon, Angus I.; Maria, Jon-Paul; Streiffer, S. K.
  • Nature, Vol. 406, Issue 6799
  • DOI: 10.1038/35023243

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

  • Chen, Di; Bishop, Sean R.; Tuller, Harry L.
  • Chemistry of Materials, Vol. 26, Issue 22
  • DOI: 10.1021/cm503440v

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

  • Enriquez, Erik; Chen, Aiping; Harrell, Zach
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep46184

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

  • Murnaghan, F. D.
  • Proceedings of the National Academy of Sciences, Vol. 30, Issue 9
  • DOI: 10.1073/pnas.30.9.244

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

  • Lin, Chih-Yang; Wu, Chen-Yu; Wu, Chung-Yi
  • IEEE Electron Device Letters, Vol. 28, Issue 5
  • DOI: 10.1109/LED.2007.894652

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

  • Kundu, Dipan; Talaie, Elahe; Duffort, Victor
  • Angewandte Chemie International Edition, Vol. 54, Issue 11
  • DOI: 10.1002/anie.201410376

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

  • Fuller, Elliot J.; Gabaly, Farid El; Léonard, François
  • Advanced Materials, Vol. 29, Issue 4
  • DOI: 10.1002/adma.201604310

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

  • Shi, Li Bin; Wang, Yong Ping; Li, Ming Biao
  • Materials Science in Semiconductor Processing, Vol. 27
  • DOI: 10.1016/j.mssp.2014.07.040

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

  • Copel, M.; Gribelyuk, M.; Gusev, E.
  • Applied Physics Letters, Vol. 76, Issue 4
  • DOI: 10.1063/1.125779

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

  • Wachsman, Eric D.; Marlowe, Craig A.; Lee, Kang Taek
  • Energy Environ. Sci., Vol. 5, Issue 2
  • DOI: 10.1039/C1EE02445K

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

  • Greiner, Mark T.; Chai, Lily; Helander, Michael G.
  • Advanced Functional Materials, Vol. 23, Issue 2
  • DOI: 10.1002/adfm.201200993

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

  • Wang, Peng; Was, Gary S.
  • Journal of Materials Research, Vol. 30, Issue 9
  • DOI: 10.1557/jmr.2014.408

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

  • Chroneos, Alexander; Yildiz, Bilge; Tarancón, Albert
  • Energy & Environmental Science, Vol. 4, Issue 8
  • DOI: 10.1039/c0ee00717j

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

  • Marrocchelli, Dario; Bishop, Sean R.; Tuller, Harry L.
  • Advanced Functional Materials, Vol. 22, Issue 9
  • DOI: 10.1002/adfm.201102648