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

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

doi:10.1021/acsaem.1c02414

Title: Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na_1+xMn_x/2Zr_2–x/2(PO₄)₃ for Solid-State Batteries

Abstract

Here we report the dependence of mechanical properties and ionic conductivity of the Na_1+xMn_x/2Zr_2–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 (K_C) 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 × m^1/2 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.

Authors:

^[1];

^[1]; Parejiya, Anand Vasudevbhai ^[2]; Essehli, Rachid ^[1];

^[1];

^[2]

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

Publication Date:: Wed Oct 13 00:00:00 EDT 2021

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

Sponsoring Org.:: USDOE

OSTI Identifier:: 1827017

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: ACS Applied Energy Materials

Additional Journal Information:: Journal Volume: 4; Journal Issue: 10; Journal ID: ISSN 2574-0962

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 25 ENERGY STORAGE; solid-state battery; mechanics; lithium; sodium; NASICON

Citation Formats


                    Kalnaus, Sergiy, Amin, Ruhul, Parish, Chad, Parejiya, Anand Vasudevbhai, Essehli, Rachid, Westover, Andrew, Tsai, Wan-Yu, Nanda, Jagjit, and Belharouak, Ilias. Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+xMnx/2Zr2–x/2(PO4)3 for Solid-State Batteries.  United States: N. p., 2021. 
Web.  doi:10.1021/acsaem.1c02414.

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                    Kalnaus, Sergiy, Amin, Ruhul, Parish, Chad, Parejiya, Anand Vasudevbhai, Essehli, Rachid, Westover, Andrew, Tsai, Wan-Yu, Nanda, Jagjit, & Belharouak, Ilias. Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+xMnx/2Zr2–x/2(PO4)3 for Solid-State Batteries.  United States.  https://doi.org/10.1021/acsaem.1c02414

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                    Kalnaus, Sergiy, Amin, Ruhul, Parish, Chad, Parejiya, Anand Vasudevbhai, Essehli, Rachid, Westover, Andrew, Tsai, Wan-Yu, Nanda, Jagjit, and Belharouak, Ilias. Wed .  
"Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na1+xMnx/2Zr2–x/2(PO4)3 for Solid-State Batteries".  United States.  https://doi.org/10.1021/acsaem.1c02414.  https://www.osti.gov/servlets/purl/1827017.

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@article{osti_1827017,

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

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

  abstractNote = {Here 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.},

  doi          = {10.1021/acsaem.1c02414},

  journal      = {ACS Applied Energy Materials},

  number       = 10,

  volume       = 4,

  place        = {United States},

  year         = {Wed Oct 13 00:00:00 EDT 2021},

  month        = {Wed Oct 13 00:00:00 EDT 2021}

}

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

Abstract

Citation Formats

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Title: Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na_1+xMn_x/2Zr_2–x/2(PO₄)₃ for Solid-State Batteries

Mechanical properties of the solid Li-ion conducting electrolyte: Li0.33La0.57TiO3
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High lithium ion conducting solid electrolytes based on NASICON Li 1+x Al x M 2−x (PO 4 ) 3 materials (M = Ti, Ge and 0 ≤ x ≤ 0.5)
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Nanomechanical Quantification of Elastic, Plastic, and Fracture Properties of LiCoO2
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