Sulfur-Substituted Halide Solid Electrolyte for Stable Li-Ion Conduction

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Solution Overview

Problem

Conventional lithium secondary batteries face issues with low thermal stability, ignition, leakage, and insufficient lithium ion conductivity due to the use of liquid electrolytes, while existing halide solid electrolytes do not exhibit sufficient ionic conductivity and stability, especially when exposed to moisture and oxygen.

Innovation Solution

A halide solid electrolyte represented by Li (6-4a+b) M a X 6-b S b, where M is a tetravalent transition metal, X is a halogen, and a part of the halogen element is substituted and doped with sulfur, enhancing lithium ion conductivity and structural stability through controlled sulfur substitution.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If liquid electrolyte is used in lithium secondary batteries, then ionic conductivity is achieved, but thermal stability and safety deteriorate due to low thermal stability, ignition, and leakage

Engineering Contradiction:
ImprovesafetyVSAvoidionic conductivity
Core Design Contradiction:
ReliabilityVSQuantity of substance

Solution Approach 1:

The patent changes the physical state parameter of the electrolyte from liquid to solid, and modifies the chemical composition by substituting halogen elements with sulfur in the halide solid electrolyte formula Li(6-4a+b)MaX6-bSb. This parameter transformation achieves both high ionic conductivity (comparable to liquid electrolytes) and improved thermal stability, resolving the contradiction between safety and ionic conductivity

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent develops composite solid electrolyte materials combining halide base structures with sulfur substitution. The composite nature of Li(6-4a+b)MaX6-bSb integrates the stability of halide frameworks with the high ionic conductivity contributions from sulfur doping, achieving both safety and performance requirements

Inventive Principle:
Principle #40Composite materials

2Ease of operation

If sulfide-based solid electrolyte is used, then flexibility and contact properties improve, but stability deteriorates due to low stability when exposed to moisture and oxygen

Engineering Contradiction:
Improvecontact propertiesVSAvoidstability
Core Design Contradiction:
Ease of operationVSStability of the object's composition

Solution Approach 1:

The patent uses halide compounds as intermediary materials that bridge the gap between sulfide-based flexibility and oxide-based stability. The halide solid electrolyte Li(6-4a+b)MaX6-bSb acts as a mediator, incorporating sulfur to achieve flexibility and contact properties similar to sulfides, while the halide framework provides enhanced stability against moisture and oxygen

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The patent applies local quality by selectively substituting only part of the halogen elements with sulfur in the crystal structure (indicated by the parameter b in Li(6-4a+b)MaX6-bSb). This partial substitution locally introduces flexibility and contact properties where needed, while maintaining the stable halide framework in other regions, thus achieving both flexibility and stability

Inventive Principle:
Principle #3Local quality

3Stability of the object's composition

If oxide-based solid electrolyte is used, then stability improves, but ionic conductivity and contact properties deteriorate due to insufficient ionic conductivity

Engineering Contradiction:
ImprovestabilityVSAvoidionic conductivity
Core Design Contradiction:
Stability of the object's compositionVSQuantity of substance

Solution Approach 1:

The patent changes the chemical composition parameters by introducing sulfur substitution in halide structures, which fundamentally alters the ionic conduction mechanism. The Li(6-4a+b)MaX6-bSb composition achieves high lithium ion conductivity through sulfur-induced structural modifications while maintaining the stability characteristic of oxide-based materials

Inventive Principle:
Principle #35Parameter changes

4Quantity of substance

If halide solid electrolyte with sulfur substitution is used, then ionic conductivity improves, but manufacturing complexity increases due to controlled sulfur substitution requirements

Engineering Contradiction:
Improveionic conductivityVSAvoidmanufacturing complexity
Core Design Contradiction:
Quantity of substanceVSDevice complexity

Solution Approach 1:

The patent defines specific parameter ranges for sulfur substitution (controlled by parameter b in the formula Li(6-4a+b)MaX6-bSb) that optimize ionic conductivity while maintaining manufacturing feasibility. By establishing clear compositional windows, the patent balances performance improvement with manufacturing complexity, making the material both high-performing and producible

Inventive Principle:
Principle #35Parameter changes

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The solid electrolyte exhibits improved ionic conductivity, flexibility, and stability, enabling safer and high-energy density secondary batteries by ensuring excellent contact properties between the electrolyte and active material particles.

Implementation Method 1

a part of the halogen element is substituted and doped with sulfur, enhancing lithium ion conductivity and structural stability through controlled sulfur substitution

Methodology Applied
Scientific EffectIonic conductivity enhancement through doping: Dopants

Implementation Method 2

reacting a mixture of lithium halide, a group 4 transition metal M halide, and lithium sulfide under the application of mechanical force

Methodology Applied
Scientific EffectMechanical activation: Mechanical Force

Data Source

PatentEP4604245A1Halide solid electrolyte, method for preparing same, and secondary battery including same
Publication Date: 2025.08.20 LOTTE ENERGY MATERIALS CORP
  • EP4604245A1 patent drawingFigure 1~2
  • EP4604245A1 patent drawingFigure 3a
  • EP4604245A1 patent drawingFigure 3b

AI summary

The present disclosure relates to a halide solid electrolyte that exhibits a more improved ionic conductivity, excellent stability and flexibility, and the like, a method for producing the same, and a secondary battery comprising the same. The halide solid electrolyte may be represented by the Formula: Li(6-4a+b)MaX6-bSb.