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High-flux predicting method of cladding material with stable compatibility with solid electrolyte

A technology of solid electrolytes and prediction methods, applied in solid electrolytes, non-aqueous electrolytes, computer materials science, etc., can solve problems such as poor electrochemical stability and low ionic conductivity, and achieve good application value

Active Publication Date: 2019-08-13
TIANMU LAKE INST OF ADVANCED ENERGY STORAGE TECH CO LTD +2
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  • Abstract
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AI Technical Summary

Problems solved by technology

Although the oxide can maintain good stability in a wide voltage range 17 , but it usually has a low ionic conductivity (-1 )
In contrast, sulfides have excellent ionic conductivity up to 25mS cm -1 6,20 , the disadvantage is that the electrochemical stability is poor, and it will decompose within the battery operating voltage range 17-19

Method used

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  • High-flux predicting method of cladding material with stable compatibility with solid electrolyte
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  • High-flux predicting method of cladding material with stable compatibility with solid electrolyte

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Embodiment Construction

[0032] In order to better understand the present invention, the present invention will be described in detail below in conjunction with specific embodiments and accompanying drawings.

[0033] 1. Method of Predictive Screening

[0034] The invention introduces a new calculation mode, which can perform interface analysis more effectively, so as to effectively search for suitable coating materials compatible with solid electrolytes and electrochemically stable within the working voltage range with high throughput. The data used in the calculations are based on the results of density functional theory calculations as part of the Materials Project (Materials Proiect) 24,27 implemented as part of and uses the Material Application Programming Interface (API) 28 Make a docking. Materials Genomics with Python (pymatgen) 29 library, combined with literature 22,30,31 The method mentioned in computes the convex hull.

[0035] As an application example, the present invention searches...

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Abstract

The invention provides a high-flux predicting method of a cladding material with stable compatibility with a solid electrolyte. A new high-flux analysis mode is adopted. The method is effectively applied to a large database. More than 67,026 materials are successfully searched. A coating material which can best stabilize an interface between a sulfide solid electrolyte and a typical electrode (cathode / anode) material can be found.

Description

technical field [0001] The invention belongs to the field of solid-state electrolytes and solid-state batteries, and in particular relates to a high-flux prediction method for a coating material compatible and stable with solid-state electrolytes. Background technique [0002] All-solid-state lithium-ion batteries are one of the most promising directions in the field of next-generation energy storage 1-3 . Most notably, ceramic solid-state electrolytes with nonflammable properties can address many of the safety concerns associated with the use of highly flammable organic liquid electrolytes. Furthermore, unlike liquid electrolytes, solid electrolytes do not suffer from the increased viscosity at low temperatures that would limit their operation, a key operating condition required by the fast-growing electric vehicle market 4-6 . In some cases, solid electrolytes can even have higher ionic conductivity than liquid electrolytes 6,7 . In addition, solid-state electrolytes ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C60/00H01M10/0562
CPCG16C60/00H01M10/0562H01M2300/0068Y02E60/10
Inventor 吴凡李泓
Owner TIANMU LAKE INST OF ADVANCED ENERGY STORAGE TECH CO LTD
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