Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+ xMnx/2Zr2- x/2(PO4)3for Solid-State Batteries a

Sergiy Kalnaus; Ruhul Amin; Chad Parish; Anand Parejiya; Rachid Essehli; Andrew Westover; Wan Yu Tsai; Jagjit Nanda; Ilias Belharouak

doi:10.1021/acsaem.1c02414

Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na_{1+ x}Mn_x/2Zr_{2- x/2}(PO₄)₃for Solid-State Batteries ^a

Sergiy Kalnaus, Ruhul Amin, Chad Parish, Anand Parejiya, Rachid Essehli, Andrew Westover, Wan Yu Tsai, Jagjit Nanda, Ilias Belharouak

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

We report the dependence of mechanical properties and ionic conductivity of the Na1+xMnx/2Zr2-x/2(PO4)3 (designated as NMZP) ionic conductor on its composition (with x = 0.5, 1.0, 1.5, and 2.0). Local mechanics was studied by instrumented nanoindentation, and the properties of interest included the elastic modulus, hardness, and fracture toughness. Overall, the material becomes more compliant and soft with the increase in the Na content. The elastic modulus reduces from 120 to 80 GPa, and nanoindentation hardness reduces from 7.8 to 4.2 GPa when x changes from 0.5 to 2.0. The relationship with fracture toughness (KC) is highly nonlinear: fracture toughness first decreases and then increases with the increase in the sodium content, reaching a maximum value of 0.89 MPa × m1/2 at x = 2.0. Such a relationship was found to correlate with the formation of a glassy phase in NMZP at intermediate Na concentration. The maximum ionic conductivity coincides with the maximum fracture toughness in this material.

Original language	English
Pages (from-to)	11684-11692
Number of pages	9
Journal	ACS Applied Energy Materials
Volume	4
Issue number	10
DOIs	https://doi.org/10.1021/acsaem.1c02414
State	Published - Oct 25 2021

Funding

This research at Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725, was sponsored by the ORNL Director’s Research and Development Program, Transformation Energy Science and Technology Initiative. Caitlin J. Duggan (ORNL) is acknowledged for metallographic sample preparation. a

Funders	Funder number
U.S. Department of Energy	DE-AC05-00OR22725
Oak Ridge National Laboratory
UT-Battelle

Keywords

NASICON
lithium
mechanics
sodium
solid-state battery

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1021/acsaem.1c02414

Cite this

@article{b71ff442764a422994c28c8cb37671a0,

title = "Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+ xMnx/2Zr2- x/2(PO4)3for Solid-State Batteries a",

abstract = "We report the dependence of mechanical properties and ionic conductivity of the Na1+xMnx/2Zr2-x/2(PO4)3 (designated as NMZP) ionic conductor on its composition (with x = 0.5, 1.0, 1.5, and 2.0). Local mechanics was studied by instrumented nanoindentation, and the properties of interest included the elastic modulus, hardness, and fracture toughness. Overall, the material becomes more compliant and soft with the increase in the Na content. The elastic modulus reduces from 120 to 80 GPa, and nanoindentation hardness reduces from 7.8 to 4.2 GPa when x changes from 0.5 to 2.0. The relationship with fracture toughness (KC) is highly nonlinear: fracture toughness first decreases and then increases with the increase in the sodium content, reaching a maximum value of 0.89 MPa × m1/2 at x = 2.0. Such a relationship was found to correlate with the formation of a glassy phase in NMZP at intermediate Na concentration. The maximum ionic conductivity coincides with the maximum fracture toughness in this material.",

keywords = "NASICON, lithium, mechanics, sodium, solid-state battery",

author = "Sergiy Kalnaus and Ruhul Amin and Chad Parish and Anand Parejiya and Rachid Essehli and Andrew Westover and Tsai, {Wan Yu} and Jagjit Nanda and Ilias Belharouak",

note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",

year = "2021",

month = oct,

day = "25",

doi = "10.1021/acsaem.1c02414",

language = "English",

volume = "4",

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journal = "ACS Applied Energy Materials",

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T1 - Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+ xMnx/2Zr2- x/2(PO4)3for Solid-State Batteries a

AU - Kalnaus, Sergiy

AU - Amin, Ruhul

AU - Parish, Chad

AU - Parejiya, Anand

AU - Essehli, Rachid

AU - Westover, Andrew

AU - Tsai, Wan Yu

AU - Nanda, Jagjit

AU - Belharouak, Ilias

PY - 2021/10/25

Y1 - 2021/10/25

N2 - We report the dependence of mechanical properties and ionic conductivity of the Na1+xMnx/2Zr2-x/2(PO4)3 (designated as NMZP) ionic conductor on its composition (with x = 0.5, 1.0, 1.5, and 2.0). Local mechanics was studied by instrumented nanoindentation, and the properties of interest included the elastic modulus, hardness, and fracture toughness. Overall, the material becomes more compliant and soft with the increase in the Na content. The elastic modulus reduces from 120 to 80 GPa, and nanoindentation hardness reduces from 7.8 to 4.2 GPa when x changes from 0.5 to 2.0. The relationship with fracture toughness (KC) is highly nonlinear: fracture toughness first decreases and then increases with the increase in the sodium content, reaching a maximum value of 0.89 MPa × m1/2 at x = 2.0. Such a relationship was found to correlate with the formation of a glassy phase in NMZP at intermediate Na concentration. The maximum ionic conductivity coincides with the maximum fracture toughness in this material.

AB - We report the dependence of mechanical properties and ionic conductivity of the Na1+xMnx/2Zr2-x/2(PO4)3 (designated as NMZP) ionic conductor on its composition (with x = 0.5, 1.0, 1.5, and 2.0). Local mechanics was studied by instrumented nanoindentation, and the properties of interest included the elastic modulus, hardness, and fracture toughness. Overall, the material becomes more compliant and soft with the increase in the Na content. The elastic modulus reduces from 120 to 80 GPa, and nanoindentation hardness reduces from 7.8 to 4.2 GPa when x changes from 0.5 to 2.0. The relationship with fracture toughness (KC) is highly nonlinear: fracture toughness first decreases and then increases with the increase in the sodium content, reaching a maximum value of 0.89 MPa × m1/2 at x = 2.0. Such a relationship was found to correlate with the formation of a glassy phase in NMZP at intermediate Na concentration. The maximum ionic conductivity coincides with the maximum fracture toughness in this material.

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