Electrolyte Material Screening for SEI-Forming Lithium Batteries
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Solution Overview
Problem
Finding candidate materials for electrolytes in lithium secondary batteries is experimentally time-consuming and resource-intensive, and existing methods do not effectively address the challenge of battery deterioration.
Innovation Solution
A method and system for screening materials using a database that filters organic substances based on parameters such as electron affinity, ionization energy, and coordination energy with lithium salts to identify substances that form a solid electrolyte interphase (SEI) layer, reducing the need for repetitive experiments.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If experimental methods are used to find candidate electrolyte materials, then material performance can be verified, but the process is time-consuming and resource-intensive
Solution Approach 1:
The patent applies preliminary action by pre-calculating and storing key parameters (electron affinity, ionization energy, coordination energy) for multiple organic substances in a database before experimental testing. This allows the screening system to quickly identify promising candidates based on theoretical calculations, reducing the need for extensive experimental trials and thereby decreasing screening time while maintaining reliability through subsequent experimental verification of selected candidates.
2Reliability
If extensive experimental testing is conducted to find suitable electrolyte materials, then reliable material selection can be achieved, but resources and effort are greatly consumed
Solution Approach 1:
The patent employs copying by creating a virtual database that stores calculated parameters (electron affinity, ionization energy, coordination energy) representing the chemical properties of organic substances. Instead of physically testing numerous substances, the system copies these key parameters into the database and uses filtering algorithms to identify promising candidates, thereby reducing resource consumption while maintaining material selection accuracy through targeted experimental verification.
Solution Approach 2:
The patent substitutes mechanical experimental testing with an information-based filtering system. The system replaces extensive physical experimentation with computational calculations of key parameters (electron affinity, ionization energy, coordination energy) and automated database filtering. This mechanical-to-information substitution significantly reduces resource consumption while maintaining reliable material selection by focusing experiments only on the most promising candidates identified through the filtering process.
3Measurement precision
If a comprehensive database with multiple parameters is created, then accurate material screening is possible, but system complexity increases
Solution Approach 1:
The patent applies taking out by extracting only the most critical parameters (electron affinity, ionization energy, coordination energy) from the complete set of possible molecular properties and storing them in the database. This selective extraction maintains screening accuracy by focusing on the key parameters that determine electrolyte performance, while reducing system complexity by excluding less relevant parameters and simplifying the database structure and filtering logic.
Data Source
AI summary
A method and system for screening a material for a lithium secondary battery. The method for screening a material configured to be used in a lithium secondary battery may include: receiving information about an organic substance; generating a database by storing the information about the organic substance based on a plurality of parameters; and applying at least one filter to the database to output information about a target substance configured to be used in a lithium secondary battery among the organic substances, wherein at least one of the target substances is configured to form a solid electrolyte interphase (SEI) layer including an anion of a lithium salt.