Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

Tej P. Poudel; Erica Truong; Ifeoluwa P. Oyekunle; Michael J. Deck; Bright Ogbolu; Yudan Chen; Pawan K. Ojha; Thilina N.D.D. Gamaralalage; Sawankumar V. Patel; Yongkang Jin; Dewen Hou; Chen Huang; Tianyi Li; Yuzi Liu; Hui Xiong; Yan Yan Hu

doi:10.1021/acsenergylett.4c02788

Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

Tej P. Poudel, Erica Truong, Ifeoluwa P. Oyekunle, Michael J. Deck, Bright Ogbolu, Yudan Chen, Pawan K. Ojha, Thilina N.D.D. Gamaralalage, Sawankumar V. Patel, Yongkang Jin, Dewen Hou, Chen Huang, Tianyi Li, Yuzi Liu, Hui Xiong, Yan Yan Hu

Micron School of Materials Science and Engineering

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

Abstract

All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. We developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li_3-xYBr_6-x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li_2.65YBr_5.65 composition has an ionic conductivity of 4.49 mS cm^-1 at 25 °C and an activation energy of 0.28 eV. Compared to Li₃YBr₆, Li_2.65YBr_5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li_3-xYBr_6-x , contributing to reduced Li⁺ migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li⁺ dynamics and impurity elimination.

Original language	English
Pages (from-to)	40-47
Number of pages	8
Journal	ACS Energy Letters
Volume	10
Issue number	1
DOIs	https://doi.org/10.1021/acsenergylett.4c02788
State	Published - 10 Jan 2025

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Poudel, T. P., Truong, E., Oyekunle, I. P., Deck, M. J., Ogbolu, B., Chen, Y., Ojha, P. K., Gamaralalage, T. N. D. D., Patel, S. V., Jin, Y., Hou, D., Huang, C., Li, T., Liu, Y., Xiong, H., & Hu, Y. Y. (2025). Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries. ACS Energy Letters, 10(1), 40-47. https://doi.org/10.1021/acsenergylett.4c02788

@article{4e5472f1af37483dbcc3ea17d2b08b82,

title = "Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries",

abstract = "All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. We developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li3-xYBr6-x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li2.65YBr5.65 composition has an ionic conductivity of 4.49 mS cm-1 at 25 °C and an activation energy of 0.28 eV. Compared to Li3YBr6, Li2.65YBr5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li3-xYBr6-x , contributing to reduced Li+ migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li+ dynamics and impurity elimination.",

author = "Poudel, {Tej P.} and Erica Truong and Oyekunle, {Ifeoluwa P.} and Deck, {Michael J.} and Bright Ogbolu and Yudan Chen and Ojha, {Pawan K.} and Gamaralalage, {Thilina N.D.D.} and Patel, {Sawankumar V.} and Yongkang Jin and Dewen Hou and Chen Huang and Tianyi Li and Yuzi Liu and Hui Xiong and Hu, {Yan Yan}",

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year = "2025",

month = jan,

day = "10",

doi = "10.1021/acsenergylett.4c02788",

language = "English",

volume = "10",

pages = "40--47",

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TY - JOUR

T1 - Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

AU - Poudel, Tej P.

AU - Truong, Erica

AU - Oyekunle, Ifeoluwa P.

AU - Deck, Michael J.

AU - Ogbolu, Bright

AU - Chen, Yudan

AU - Ojha, Pawan K.

AU - Gamaralalage, Thilina N.D.D.

AU - Patel, Sawankumar V.

AU - Jin, Yongkang

AU - Hou, Dewen

AU - Huang, Chen

AU - Li, Tianyi

AU - Liu, Yuzi

AU - Xiong, Hui

AU - Hu, Yan Yan

PY - 2025/1/10

Y1 - 2025/1/10

N2 - All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. We developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li3-xYBr6-x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li2.65YBr5.65 composition has an ionic conductivity of 4.49 mS cm-1 at 25 °C and an activation energy of 0.28 eV. Compared to Li3YBr6, Li2.65YBr5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li3-xYBr6-x , contributing to reduced Li+ migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li+ dynamics and impurity elimination.

AB - All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. We developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li3-xYBr6-x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li2.65YBr5.65 composition has an ionic conductivity of 4.49 mS cm-1 at 25 °C and an activation energy of 0.28 eV. Compared to Li3YBr6, Li2.65YBr5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li3-xYBr6-x , contributing to reduced Li+ migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li+ dynamics and impurity elimination.

UR - http://www.scopus.com/inward/record.url?scp=85211566244&partnerID=8YFLogxK

U2 - 10.1021/acsenergylett.4c02788

DO - 10.1021/acsenergylett.4c02788

M3 - Article

AN - SCOPUS:85211566244

VL - 10

SP - 40

EP - 47

JO - ACS Energy Letters

JF - ACS Energy Letters

IS - 1

ER -

Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

Abstract

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