Cyanate-Based Battery Electrolytes for Stable Silicon Anodes

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Solution Overview

Problem

Lithium-ion batteries with silicon-based anodes and high-voltage cathodes face challenges such as unstable solid electrolyte interphase layers, oxidative instability of conventional electrolytes, and inferior cycle life, leading to reduced energy density and safety concerns due to issues like gas generation and volume swelling in high FEC-containing electrolytes.

Innovation Solution

An electrolyte system comprising a cyanate-based compound, a linear carbonate, and a Li-containing salt, which stabilizes the solid electrolyte interphase, reduces volume expansion, and enhances thermal stability, thereby improving the electrochemical performance and safety of silicon-based anode batteries.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Quantity of substance

If silicon-based anodes are used to increase energy density, then capacity is improved, but volumetric expansion during lithiation leads to disintegration and reduced cycling stability

Engineering Contradiction:
ImprovecapacityVSAvoidcycling stability
Core Design Contradiction:
Quantity of substanceVSReliability

Solution Approach 1:

The electrolyte contains cyanate-based compounds that pre-form a stable protective interface layer on the silicon anode surface before degradation can occur. This preliminary protective action prevents subsequent disintegration during lithiation cycles, allowing high capacity silicon anodes to maintain structural integrity and cycling stability.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The cyanate-based compound acts as an intermediary between the silicon anode and the conventional electrolyte. It forms a stable interfacial layer that mediates the interaction, preventing direct harmful reactions between silicon and electrolyte while enabling stable lithium ion transport, thus resolving the contradiction between high capacity and cycling stability.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Quantity of substance

If high-voltage cathodes are used to increase energy density, then capacity is improved, but oxidative instability of conventional electrolytes occurs beyond 4.5 V

Engineering Contradiction:
ImprovecapacityVSAvoidoxidative instability
Core Design Contradiction:
Quantity of substanceVSObject-affected harmful factors

Solution Approach 1:

The cyanate-based compound serves as an intermediary protective layer on the cathode surface, enabling the use of high-voltage cathodes (beyond 4.5V) by preventing direct oxidative degradation of the conventional electrolyte, thus allowing high capacity operation without electrolyte instability.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The invention changes the chemical composition parameter of the electrolyte interface by introducing cyanate-based compounds with higher oxidative stability, enabling the system to operate at higher voltages beyond the conventional 4.5V limit while maintaining electrolyte stability and achieving higher capacity.

Inventive Principle:
Principle #35Parameter changes

3Stability of the object's composition

If high FEC-containing electrolytes are used to stabilize the SEI layer, then interfacial stability is improved, but gas generation and volume swelling occur

Engineering Contradiction:
ImproveSEI layer stabilityVSAvoidgas generation
Core Design Contradiction:
Stability of the object's compositionVSObject-generated harmful factors

Solution Approach 1:

The invention changes the chemical composition parameter by substituting part of the FEC with cyanate-based compounds. This parameter change maintains SEI layer stability while reducing the harmful side reactions that cause gas generation and volume swelling, achieving a balanced electrolyte formulation.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention extracts or reduces the excessive FEC content that causes gas generation while retaining enough to maintain SEI stability, and replaces it with cyanate-based compounds that provide stability without the harmful gas-generating side reactions.

Inventive Principle:
Principle #2Taking out (Extraction)

4Ease of manufacture

If conventional electrolytes are used with silicon anodes, then manufacturing simplicity is maintained, but cycle life is reduced due to unstable SEI layers

Engineering Contradiction:
Improvemanufacturing simplicityVSAvoidcycle life
Core Design Contradiction:
Ease of manufactureVSDuration of action of stationary object

Solution Approach 1:

The invention makes a targeted parameter change by adding small amounts of cyanate-based compounds to conventional electrolyte formulations. This minimal modification maintains manufacturing simplicity while dramatically improving cycle life through stable SEI layer formation, avoiding the need for complete electrolyte system redesign.

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 proposed electrolyte system improves the cycle life and thermal stability of silicon-based anode batteries, reducing capacity fade and gas generation, while maintaining high energy density and safety by forming stable interfacial layers and minimizing electrolyte decomposition.

Implementation Method 1

an unstable solid electrolyte interphase (SEI) layer can develop on the surface of the cycled anodes. As the active material expands and contracts during each charge-discharge cycle, unreacted Si surfaces in the active material can subsequently be exposed to the liquid electrolyte and form thicker SEI layers.

Methodology Applied
Scientific EffectSolid electrolyte interphase formation and stabilization:

Implementation Method 2

the large volumetric expansion (>300%) during the Li alloying/de-alloying processes can lead to disintegration of the active material and the loss of electrical conduction paths

Methodology Applied
Scientific EffectVolumetric expansion during alloying:

Implementation Method 3

oxidative instability of the conventional non-aqueous electrolyte takes place at voltages beyond 4.5 V, which can lead to accelerated decay of cycling performance

Methodology Applied
Scientific EffectOxidative instability: Oxidation

Implementation Method 4

A Li-ion battery typically includes a separator and/or electrolyte between an anode and a cathode

Methodology Applied
Scientific EffectIon transport: Ion Exchange

Data Source

PatentUS20240332628A1Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds
Publication Date: 2024.10.03 ENEVATE CORP
  • US20240332628A1 patent drawing
  • US20240332628A1 patent drawing
  • US20240332628A1 patent drawing

AI summary

Electrolytes and electrolyte additives for energy storage devices comprising cyanate based compounds are disclosed. The energy storage device comprises a first electrode and a second electrode, wherein at least one of the first electrode and the second electrode is a Si-based electrode, a separator between the first electrode and the second electrode, an electrolyte comprising at least two electrolyte co-solvents, wherein at least one electrolyte co-solvent comprises a cyanate based compound.