Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes

Zhang, Zhizhen; Zou, Zheyi; Kaup, Kavish; Xiao, Ruijuan; Shi, Siqi; Avdeev, Maxim; Hu, Yong‐Sheng; Wang, Da; He, Bing; Li, Hong; Huang, Xuejie; Nazar, Linda F.; Chen, Liquan

doi:10.1002/aenm.201902373

Title: Correlated Migration Invokes Higher Na ⁺ ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes

Authors:

Zhang, Zhizhen ^[1]; Zou, Zheyi ^[2]; Kaup, Kavish ^[3]; Xiao, Ruijuan ^[4]; Shi, Siqi ^[2]; Avdeev, Maxim ^[5];

^[6]; Wang, Da ^[2]; He, Bing ^[7]; Li, Hong ^[4]; Huang, Xuejie ^[4]; Nazar, Linda F. ^[3]; Chen, Liquan ^[4]

Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and Devices Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China, Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China, Department of Chemistry Waterloo Institute of Nanotechnology University of Waterloo 200 University Avenue West Waterloo Ontario N2L 3G1 Canada
School of Materials Science and Engineering Materials Genome Institute Shanghai University Shanghai 200444 China
Department of Chemistry Waterloo Institute of Nanotechnology University of Waterloo 200 University Avenue West Waterloo Ontario N2L 3G1 Canada
Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and Devices Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China
Australian Nuclear Science and Technology Organisation Locked Bag 2001 Kirrawee DC NSW 2232 Australia, School of Chemistry The University of Sydney Sydney 2006 Australia
Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and Devices Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China, Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China
School of Computer Engineering and Science Shanghai University Shanghai 200444 China

Publication Date:: 2019-10-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1567906

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Advanced Energy Materials

Additional Journal Information:: Journal Name: Advanced Energy Materials Journal Volume: 9 Journal Issue: 42; Journal ID: ISSN 1614-6832

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Zhang, Zhizhen, Zou, Zheyi, Kaup, Kavish, Xiao, Ruijuan, Shi, Siqi, Avdeev, Maxim, Hu, Yong‐Sheng, Wang, Da, He, Bing, Li, Hong, Huang, Xuejie, Nazar, Linda F., and Chen, Liquan. Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes.  Germany: N. p., 2019. 
Web.  doi:10.1002/aenm.201902373.

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                    Zhang, Zhizhen, Zou, Zheyi, Kaup, Kavish, Xiao, Ruijuan, Shi, Siqi, Avdeev, Maxim, Hu, Yong‐Sheng, Wang, Da, He, Bing, Li, Hong, Huang, Xuejie, Nazar, Linda F., & Chen, Liquan. Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes.  Germany.  https://doi.org/10.1002/aenm.201902373

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                    Zhang, Zhizhen, Zou, Zheyi, Kaup, Kavish, Xiao, Ruijuan, Shi, Siqi, Avdeev, Maxim, Hu, Yong‐Sheng, Wang, Da, He, Bing, Li, Hong, Huang, Xuejie, Nazar, Linda F., and Chen, Liquan. Tue .  
"Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes".  Germany.  https://doi.org/10.1002/aenm.201902373.

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@article{osti_1567906,

  title        = {Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes},

  author       = {Zhang, Zhizhen and Zou, Zheyi and Kaup, Kavish and Xiao, Ruijuan and Shi, Siqi and Avdeev, Maxim and Hu, Yong‐Sheng and Wang, Da and He, Bing and Li, Hong and Huang, Xuejie and Nazar, Linda F. and Chen, Liquan},

  abstractNote = {},

  doi          = {10.1002/aenm.201902373},

  journal      = {Advanced Energy Materials},

  number       = 42,

  volume       = 9,

  place        = {Germany},

  year         = {2019},

  month        = {10}

}

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Similar Records

Title: Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Crystal structures and crystal chemistry in the system Na1+xZr2SixP3−xO12 journal, February 1976

Mitigating Interfacial Potential Drop of Cathode–Solid Electrolyte via Ionic Conductor Layer To Enhance Interface Dynamics for Solid Batteries journal, April 2018

Fast Na+-ion transport in skeleton structures journal, February 1976

A time of flight neutron powder rietveld refinement study at elevated temperature on a monoclinic near-stoichiometric NASICON journal, January 1988

Elastic Properties, Defect Thermodynamics, Electrochemical Window, Phase Stability, and Li + Mobility of Li 3 PS 4 : Insights from First-Principles Calculations journal, September 2016

Projector augmented-wave method journal, December 1994

Sodium-ion Conducting Na 3 PS 4 Electrolyte Synthesized via a Liquid-phase Process Using N -Methylformamide journal, July 2015

Na 3 SbS 4 : A Solution Processable Sodium Superionic Conductor for All-Solid-State Sodium-Ion Batteries journal, July 2016

Three-Dimensional Visualization in Powder Diffraction journal, December 2007

A Na+ Superionic Conductor for Room-Temperature Sodium Batteries journal, August 2016

Composition and conduction mechanism of the NASICON structure X-ray diffraction study on two crystals at different temperatures journal, September 1983

Scandium-Substituted Na 3 Zr 2 (SiO 4 ) 2 (PO 4 ) Prepared by a Solution-Assisted Solid-State Reaction Method as Sodium-Ion Conductors journal, June 2016

A lithium superionic conductor journal, July 2011

Enhancement of the High-Rate Capability of Solid-State Lithium Batteries by Nanoscale Interfacial Modification journal, September 2006

The Crystal Structure of “Beta Alumina” Na2O·11Al2O3 journal, January 1937

Fabrication and characterization of Nasicon electrolytes journal, August 1981

High-power all-solid-state batteries using sulfide superionic conductors journal, March 2016

Computational and Experimental Investigations of Na-Ion Conduction in Cubic Na 3 PSe 4 journal, December 2015

Properties of nasicon electrolytes prepared from alkoxide derived gels: Ionic conductivity, durability in molten sodium and strength test data☆ journal, September 1984

NASICON solid electrolytes part I: The Na+-diffusion path and its relation to the structure journal, December 1985

Phase Stability and Transport Mechanisms in Antiperovskite Li 3 OCl and Li 3 OBr Superionic Conductors journal, November 2013

Rietveld refinement results on three nonstoichiometric monoclinic NASICONs journal, October 1986

Origin of fast ion diffusion in super-ionic conductors journal, June 2017

High power lithium ion battery materials by computational design journal, July 2011

Relation structure-fast ion conduction in the NASICON solid solution journal, March 1988

Vacancy-Contained Tetragonal Na 3 SbS 4 Superionic Conductor journal, April 2016

Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries journal, January 2012

Phase transformation in Na1+xSixZr2P3−xO12 compounds journal, November 1979

The Li-Ion Rechargeable Battery: A Perspective journal, January 2013

NASICON solid electrolytes Part II - X-ray diffraction experiments on sodium-zirconium-phosphate single crystals at 295K and at 993K journal, January 1986

Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li 4 SiO 4 –Li 3 PO 4 Solid Electrolytes journal, July 2015

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase journal, September 2012

3DBVSMAPPER : a program for automatically generating bond-valence sum landscapes journal, August 2012

Nosé–Hoover chains: The canonical ensemble via continuous dynamics journal, August 1992

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

Survey of the transport properties of sodium superionic conductor materials for use in sodium batteries journal, January 2015

A solid future for battery development journal, September 2016

Neutron powder diffraction study and ionic conductivity of Na2Zr2SiP2O12 and Na3Zr2Si2PO12 journal, January 1986

Vacancy-Controlled Na + Superion Conduction in Na 11 Sn 2 PS 12 journal, January 2018

Significance tests on the crystallographic R factor journal, May 1965

Influence of Nb 5+ , Ti 4+ , Y 3+ and Zn 2+ doped Na 3 Zr 2 Si 2 PO 12 solid electrolyte on its conductivity journal, August 2018

Dendrite-Free Li-Metal Battery Enabled by a Thin Asymmetric Solid Electrolyte with Engineered Layers journal, December 2017

Divalent-doped Na3Zr2Si2PO12 natrium superionic conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases journal, April 2017

Multi-scale computation methods: Their applications in lithium-ion battery research and development journal, January 2016

First-principles insight into the structural fundamental of super ionic conducting in NASICON MTi2(PO4)3 (M = Li, Na) materials for rechargeable batteries journal, November 2017

Garnet Electrolyte with an Ultralow Interfacial Resistance for Li-Metal Batteries journal, April 2018

The crystal structure of a nonstoichiometric NASICON journal, June 1985

A Self-Forming Composite Electrolyte for Solid-State Sodium Battery with Ultralong Cycle Life journal, October 2016

Modeling Ionic Conductivity in Nasicon Structures journal, January 2001

A profile refinement method for nuclear and magnetic structures journal, June 1969

Na 11 Sn 2 PS 12 : a new solid state sodium superionic conductor journal, January 2018

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points journal, December 2000

Die Berechnung optischer und elektrostatischer Gitterpotentiale journal, January 1921

Na 3 PSe 4 : A Novel Chalcogenide Solid Electrolyte with High Ionic Conductivity journal, October 2015

Phase transition in nasicon (Na3Zr2Si2PO12) journal, October 1979

Crystal structure of the true nasicon: Na3Zr2Si2PO12 journal, May 1987

Structure of Na3−3xAlxPO4, x = 0 to 0.5 journal, November 1989

Correlations in Space and Time and Born Approximation Scattering in Systems of Interacting Particles journal, July 1954

The solid solutions Na3(1−x)Alx▭2xPO4: room temperature powder neutron diffraction studies of the two compositions x=0.025 and x=0.2 journal, December 1980

Title: Correlated Migration Invokes Higher Na ⁺ ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes

Generalized Gradient Approximation Made Simple
journal, October 1996

Crystal structures and crystal chemistry in the system Na1+xZr2SixP3−xO12
journal, February 1976

Mitigating Interfacial Potential Drop of Cathode–Solid Electrolyte via Ionic Conductor Layer To Enhance Interface Dynamics for Solid Batteries
journal, April 2018

Fast Na+-ion transport in skeleton structures
journal, February 1976

A time of flight neutron powder rietveld refinement study at elevated temperature on a monoclinic near-stoichiometric NASICON
journal, January 1988

Elastic Properties, Defect Thermodynamics, Electrochemical Window, Phase Stability, and Li ⁺ Mobility of Li ₃ PS ₄ : Insights from First-Principles Calculations
journal, September 2016

Projector augmented-wave method
journal, December 1994

Sodium-ion Conducting Na ₃ PS ₄ Electrolyte Synthesized via a Liquid-phase Process Using N -Methylformamide
journal, July 2015

Na ₃ SbS ₄ : A Solution Processable Sodium Superionic Conductor for All-Solid-State Sodium-Ion Batteries
journal, July 2016

Three-Dimensional Visualization in Powder Diffraction
journal, December 2007

A Na+ Superionic Conductor for Room-Temperature Sodium Batteries
journal, August 2016

Composition and conduction mechanism of the NASICON structure X-ray diffraction study on two crystals at different temperatures
journal, September 1983

Scandium-Substituted Na ₃ Zr ₂ (SiO ₄ ) ₂ (PO ₄ ) Prepared by a Solution-Assisted Solid-State Reaction Method as Sodium-Ion Conductors
journal, June 2016

A lithium superionic conductor
journal, July 2011

Enhancement of the High-Rate Capability of Solid-State Lithium Batteries by Nanoscale Interfacial Modification
journal, September 2006

The Crystal Structure of “Beta Alumina” Na2O·11Al2O3
journal, January 1937

Fabrication and characterization of Nasicon electrolytes
journal, August 1981

High-power all-solid-state batteries using sulfide superionic conductors
journal, March 2016

Computational and Experimental Investigations of Na-Ion Conduction in Cubic Na ₃ PSe ₄
journal, December 2015

Properties of nasicon electrolytes prepared from alkoxide derived gels: Ionic conductivity, durability in molten sodium and strength test data☆
journal, September 1984

NASICON solid electrolytes part I: The Na+-diffusion path and its relation to the structure
journal, December 1985

Phase Stability and Transport Mechanisms in Antiperovskite Li ₃ OCl and Li ₃ OBr Superionic Conductors
journal, November 2013

Rietveld refinement results on three nonstoichiometric monoclinic NASICONs
journal, October 1986

Origin of fast ion diffusion in super-ionic conductors
journal, June 2017

High power lithium ion battery materials by computational design
journal, July 2011

Relation structure-fast ion conduction in the NASICON solid solution
journal, March 1988

Vacancy-Contained Tetragonal Na ₃ SbS ₄ Superionic Conductor
journal, April 2016

Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries
journal, January 2012

Phase transformation in Na1+xSixZr2P3−xO12 compounds
journal, November 1979

The Li-Ion Rechargeable Battery: A Perspective
journal, January 2013

NASICON solid electrolytes Part II - X-ray diffraction experiments on sodium-zirconium-phosphate single crystals at 295K and at 993K
journal, January 1986

Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li ₄ SiO ₄ –Li ₃ PO ₄ Solid Electrolytes
journal, July 2015

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase
journal, September 2012

3DBVSMAPPER : a program for automatically generating bond-valence sum landscapes
journal, August 2012

Nosé–Hoover chains: The canonical ensemble via continuous dynamics
journal, August 1992

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

Survey of the transport properties of sodium superionic conductor materials for use in sodium batteries
journal, January 2015

A solid future for battery development
journal, September 2016

Neutron powder diffraction study and ionic conductivity of Na2Zr2SiP2O12 and Na3Zr2Si2PO12
journal, January 1986

Vacancy-Controlled Na ⁺ Superion Conduction in Na ₁₁ Sn ₂ PS ₁₂
journal, January 2018

Significance tests on the crystallographic R factor
journal, May 1965

Influence of Nb 5+ , Ti 4+ , Y 3+ and Zn 2+ doped Na 3 Zr 2 Si 2 PO 12 solid electrolyte on its conductivity
journal, August 2018

Dendrite-Free Li-Metal Battery Enabled by a Thin Asymmetric Solid Electrolyte with Engineered Layers
journal, December 2017

Divalent-doped Na3Zr2Si2PO12 natrium superionic conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases
journal, April 2017

Multi-scale computation methods: Their applications in lithium-ion battery research and development
journal, January 2016

First-principles insight into the structural fundamental of super ionic conducting in NASICON MTi2(PO4)3 (M = Li, Na) materials for rechargeable batteries
journal, November 2017

Garnet Electrolyte with an Ultralow Interfacial Resistance for Li-Metal Batteries
journal, April 2018

The crystal structure of a nonstoichiometric NASICON
journal, June 1985

A Self-Forming Composite Electrolyte for Solid-State Sodium Battery with Ultralong Cycle Life
journal, October 2016

Modeling Ionic Conductivity in Nasicon Structures
journal, January 2001

A profile refinement method for nuclear and magnetic structures
journal, June 1969

Na ₁₁ Sn ₂ PS ₁₂ : a new solid state sodium superionic conductor
journal, January 2018

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

Die Berechnung optischer und elektrostatischer Gitterpotentiale
journal, January 1921

Na ₃ PSe ₄ : A Novel Chalcogenide Solid Electrolyte with High Ionic Conductivity
journal, October 2015

Phase transition in nasicon (Na3Zr2Si2PO12)
journal, October 1979

Crystal structure of the true nasicon: Na3Zr2Si2PO12
journal, May 1987

Structure of Na3−3xAlxPO4, x = 0 to 0.5
journal, November 1989

Correlations in Space and Time and Born Approximation Scattering in Systems of Interacting Particles
journal, July 1954

The solid solutions Na3(1−x)Alx▭2xPO4: room temperature powder neutron diffraction studies of the two compositions x=0.025 and x=0.2
journal, December 1980