Method for screening electrolyte materials for lithium batteries

Abstract

The invention belongs to the technical field of battery material screening, relates to screening high-performance and excellent-structure electrolyte materials for lithium batteries, and aims at solving the defects that existing methods are long in period and difficult to control and the screened materials are bad in practicability. The invention provides a high throughput calculation-based methodfor screening electrolyte materials for lithium batteries. By adoption of a high throughout calculation method, the method starts from existing battery material structure database and stands on basicindexes such as chemical stoichiometric equations, ion conductivity, electronic conductivity, stability, high-oxygenolysis voltage and toxicity, and sets a series of screening conditions, so as to finally obtain electrolyte materials with optimum structures and high performance.

Description

technical field [0001] The invention belongs to the technical field of battery material screening, and relates to rapid screening of electrolyte materials for lithium batteries with good performance and excellent structure. Background technique [0002] With the increasingly prominent energy crisis and environmental pollution, clean and renewable energy accounts for an increasing proportion of energy; however, renewable energy such as solar energy, wind energy, and hydropower needs to be converted into secondary energy such as electricity Widely used; electrochemical energy storage technology is a better way. The battery is an important carrier of electrochemical energy storage. The performance parameters of the battery mainly include electromotive force, capacity, specific energy and resistance; using the battery as an energy source can obtain stable voltage, stable current, long-term stable power supply, and is not affected by external influences. Very small current, and ...

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Problems solved by technology

[0010] The purpose of the present invention is to provide a high-throughput calculation-based electrolyte material screening method for lithium batteries in view of the above-mentioned shortcomings such as long screening period, difficult control, and poor practicability of the screened materials; the present invention adopts a high-throughput calculation method, Starting from the existing battery material structure database, based on basic indicators such as stoichiometric formula, ionic conductivity, electronic conductivity, stability, high oxidation decomposition voltage, toxicity, etc., a series of screening conditions are set, and finally the optimal structure and performance are obtained. good electrolyte material

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