Aromatic Phosphite Stabilizer for Lithium Battery Electrolytes

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Solution Overview

Problem

Nonaqueous electrolytes in lithium and lithium ion batteries face thermal instability due to the decomposition of lithium hexafluorophosphate (LiPF6) caused by phosphorus pentafluoride (PF5), which leads to hydrolysis and corrosion, reducing battery performance.

Innovation Solution

Incorporating an aromatic phosphite compound as a stabilizer in the electrolytic solution, which forms complexes with PF5, thereby reducing decomposition and hydrolysis of halogenated lithium salts, enhancing thermal stability and shelf life at high temperatures.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If LiPF6 is used as the electrolyte salt, then electrochemical stability and conductivity are improved, but thermal stability deteriorates due to decomposition at elevated temperatures

Engineering Contradiction:
Improveelectrochemical stabilityVSAvoidthermal stability
Core Design Contradiction:
ReliabilityVSTemperature

Solution Approach 1:

A Lewis base additive is introduced as an intermediary substance that selectively reacts with PF5 to form stable complexes. This mediator prevents PF5 from catalyzing the decomposition of LiPF6 and reacting with solvents, thereby protecting the electrolyte system from thermal degradation while maintaining the electrochemical benefits of LiPF6

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The harmful PF5 decomposition product is converted into a beneficial complex through reaction with the Lewis base. Instead of allowing PF5 to cause decomposition and polymerization, it is transformed into a stable complex that prevents further harmful reactions, turning the source of thermal instability into a protective mechanism

Inventive Principle:
Principle #22Blessing in disguise (Convert harm into benefit)

2Reliability

If LiPF6 is used as the electrolyte salt, then conductivity is improved, but hydrolysis resistance deteriorates due to reaction with moisture and protic impurities

Engineering Contradiction:
ImproveconductivityVSAvoidhydrolysis resistance
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The Lewis base acts as a protective intermediary that preferentially reacts with PF5 to form stable complexes, preventing PF5 from reacting with moisture and protic impurities. This shielding effect protects LiPF6 from hydrolysis while maintaining the desired conductivity properties

Inventive Principle:
Principle #24Intermediary (Mediator)

3Temperature

If PF5 is removed or deactivated to prevent decomposition, then thermal stability is improved, but the ability to maintain conductivity may deteriorate

Engineering Contradiction:
Improvethermal stabilityVSAvoidconductivity
Core Design Contradiction:
TemperatureVSReliability

Solution Approach 1:

The Lewis base selectively complexes with PF5, removing its harmful catalytic activity while the complex itself remains electrochemically stable and conductive. This approach maintains ionic conductivity through the complexed species while eliminating the decomposition pathways associated with free PF5

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The chemical state of PF5 is changed from a free, highly reactive species to a complexed, stable species. This parameter change (from free PF5 to Lewis base-PF5 complex) fundamentally alters the thermal stability and reactivity profile while maintaining electrochemical functionality

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 aromatic phosphite stabilizes electrolytic solutions containing halogenated lithium salts, increasing their stability and reducing decomposition, resulting in improved thermal stability and long-term performance of lithium and lithium ion batteries.

Implementation Method 1

Zhang et al. found that tris(2,2,2-trifluoroethyl)phosphite, which has a Lewis basic P(III) center, can stabilize an electrolyte of 1.2M LiPF6 in EC/PC/EMC (3:3:4) for two weeks at 60° C.

Methodology Applied
Scientific EffectComplex formation: Chemical Bonding

Implementation Method 2

This deactivation or removal of PF5 can be achieved by complexing PF5 with a Lewis base.

Methodology Applied
Scientific EffectLewis base complexation: Lewis

Implementation Method 3

LiPF6+H2O→2HF+LiF+POF3 (2) Hydrolysis of LiPF6 (Reaction 2) generally occurs due to the presence of protic impurities such as moisture, alcohols and acidic impurities in the electrolytic solution.

Methodology Applied
Scientific EffectHydrolysis prevention: Hydrolysis

Implementation Method 4

The charge flow between electrodes is maintained by an ionically conducting solute, i.e., a salt.

Methodology Applied
Scientific EffectIonic conduction: Conduction (electrical)

Data Source

PatentUS7638243B2Stabilized nonaqueous electrolytes for rechargeable batteries
Publication Date: 2009.12.29 SHENZHEN CAPCHEM TECH CO LTD

AI summary

The invention relates to the use of aromatic phosphite compounds as stabilizers for nonaqueous electrolytic solutions containing halogenated salts such as LiPF6 and LiBF4. The electrolyte containing such a phosphite exhibits excellent shelf life storage at ambient and high temperatures. The electrolytic solution is suitable for use in electrochemical cells such as lithium (ion) rechargeable batteries and supercapacitors.