Title

Investigation of cation substitution effect on sulfide and halide solid electrolytes for all-solid-state Li and Na batteries

DGIST Authors

Jeyne Lyoo ; Seung-Tae Hong ; HoChun Lee

Advisor

홍승태

Co-Advisor(s)

HoChun Lee

Issued Date

2022

Awarded Date

2022/02

Citation

Jeyne Lyoo. (2022). Investigation of cation substitution effect on sulfide and halide solid electrolytes for all-solid-state Li and Na batteries. doi: 10.22677/thesis.200000596040

Type

Thesis

Subject

Crystallography, Ab initio structure determination, Powder X-ray diffraction, Sulfide solid elec-trolytes, halide solid electrolytes, all-solid-state battery, Diffusion mechanism

Description

Crystallography, Ab initio structure determination, Powder X-ray diffraction, Sulfide solid elec-trolytes, halide solid electrolytes, all-solid-state battery, Diffusion mechanism

Table Of Contents

Ⅰ. INTRODUCTION 1
Ⅱ. THEORY 12
2.1 Crystallography 12
2.1.1 X-ray diffraction 14
2.1.2 Ab-initio structure determination 16
2.1.3 Unit cell indexing 17
2.1.4 Determination of space group 17
2.1.5 Extraction of Diffraction Intensities from the Powder XRD data 18
2.1.6 Fourier synthesis electron density and phase problem 19
2.1.7 Algorithms for structure solution 20
2.1.8 Difference Fourier synthesis 22
2.1.9 Rietveld refinement 22
2.2 Bond valence sum mapping and Bond valence energy landscape calculation 23
2.2.1 bond valence sum 23
2.2.2 bond valence sum mapping 25
2.2.3 bond valence energy landscape calculation 25
2.3 Electrochemistry 26
2.3.1 Battery basics 26
2.3.2 Impedance spectroscopy 28
2.4 References 29
Ⅲ. Na2ZrCl6 enabling highly stable 3 V all-solid-state Na-ion batteries 31
3.1 Introduction 31
3.2 Experimental 33
3.2.1 Preparation of materials 33
3.2.2 Materials characterization 33
3.2.3 Electrochemical characterization 34
3.3 Results and discussion 35
3.4 Conclusions 39
3.5 References 49
Ⅳ. A New sodium ion-conductor Na4-xSn1-xAsxS4 (0 < x ≤ 0.3) for all-solid-state sodium-ion battery 55
4.1 Introduction 55
4.2 Experimental 57
4.3 Results and discussion 58
4.4 Conclusions 60
4.5 References 72
Ⅴ. Investigation of crystal Structure and ionic conductivity of Zn substituted Li4P2S6 for Li-ion Conductor 76
5.1 Introduction 76
5.2 Experimental 78
5.3 Results and discussion 79
5.4 Conclusions 82
5.5 References 90
Summary (in Korean) 93

URI

http://dgist.dcollection.net/common/orgView/200000596040
http://hdl.handle.net/20.500.11750/16295

DOI

10.22677/thesis.200000596040

Degree

Doctor

Department

Energy Science & Engineering

Publisher

DGIST

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