Understanding ionic transport in perovskite lithium-ion conductor Li 3/8 Sr 7/16 Ta 3/4 Hf 1/4 O 3 : a neutron diffraction and molecular dynamics simulation study

Sun, Danyi [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]; Wu, Nan [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]; Wen, Yeting [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]; Sun, Shichen [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]; He, Yufang [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000202986171); Huang, Ke [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA]; Li, Cheng [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA] (ORCID:0000000265466413); Ouyang, Bin [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000281816815); White, Ralph [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]; Huang, Kevin [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA] (ORCID:0000000212324593)

doi:10.1039/d5ta01157d

DOE OSTI · 2547068

Understanding ionic transport in perovskite lithium-ion conductor Li 3/8 Sr 7/16 Ta 3/4 Hf 1/4 O 3 : a neutron diffraction and molecular dynamics simulation study

Sun, Danyi [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]·Wu, Nan [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]·Wen, Yeting [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]·Sun, Shichen [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]·He, Yufang [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000202986171)·Huang, Ke [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA]·Li, Cheng [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA] (ORCID:0000000265466413)·Ouyang, Bin [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000281816815)·White, Ralph [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA]·Huang, Kevin [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA] (ORCID:0000000212324593)

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Abstract

Solid-state Li-ion electrolytes (SSEs) are essential for the development of next-generation solid-state Li-metal batteries and new Li-extraction electrochemical cells.

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Sun, Danyi [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA], Wu, Nan [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA], Wen, Yeting [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA], Sun, Shichen [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA], He, Yufang [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000202986171), Huang, Ke [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA], Li, Cheng [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA] (ORCID:0000000265466413), Ouyang, Bin [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000281816815), White, Ralph [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA], Huang, Kevin [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29201, USA] (ORCID:0000000212324593). 2025-04-01. Understanding ionic transport in perovskite lithium-ion conductor Li 3/8 Sr 7/16 Ta 3/4 Hf 1/4 O 3 : a neutron diffraction and molecular dynamics simulation study. https://doi.org/10.1039/d5ta01157d

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