Method for calculating discharge voltage, method for selecting substitution elements

A method for calculating discharge voltage in secondary batteries using substitution elements addresses the lack of discharge characteristic focus in existing methods, enabling efficient selection of elements that enhance battery performance by determining optimal substitution structures and energies.

JP7863769B2Active Publication Date: 2026-05-22SUMITOMO METAL MINING CO LTD +1
View PDF 3 Cites 0 Cited by

Patent Information

Authority / Receiving Office
JP · JP
Patent Type
Patents
Current Assignee / Owner
SUMITOMO METAL MINING CO LTD
Filing Date
2021-03-15
Publication Date
2026-05-22

AI Technical Summary

Technical Problem

Existing methods for selecting substitution elements in secondary battery materials lack a systematic approach to calculate discharge voltage, particularly focusing on discharge characteristics, which is crucial for improving battery performance.

Method used

A method involving general formula AM x O y, including steps for determining a base material, creating substitution and defect structures, calculating energies, and determining discharge voltage using first-principles calculations to efficiently select substitution elements that enhance discharge characteristics.

Benefits of technology

Enables accurate calculation of discharge voltage for substituted elements, allowing for the selection of optimal substitution elements that improve battery performance by reducing computational costs and enhancing discharge characteristics.

✦ Generated by Eureka AI based on patent content.

Smart Images

  • Figure 0007863769000002
    Figure 0007863769000002
  • Figure 0007863769000003
    Figure 0007863769000003
  • Figure 0007863769000004
    Figure 0007863769000004
Patent Text Reader

Abstract

To provide a discharge voltage-calculating method, by which a discharge voltage when substitution is performed with a candidate element can be calculated.SOLUTION: A discharge voltage calculation method comprises: a base material-deciding step of deciding a base material of a battery positive electrode material, which is represented by the general formula, AMxOy (where an element A represents one or more elements selected from a group consisting of Li, Na, K, Rb, Cs and Mg, and an element M represents one or more elements selected from a group consisting of transition metal elements); a substitution structure-forming step of forming a substitution structure which is a result of substitution of at least a part of elements included in the base material with a previously-selected substitution element; a defect structure-forming step of forming a defect structure which is such a structure that the element A is deficient in the substitution structure; a first energy calculation step of calculating an energy of the defect structure; a second energy calculation step of calculating, from the energy calculated by the first energy calculation step, an energy for each content of the element A; and a discharge voltage calculation step of calculating a discharge voltage for each content of the element A on the basis of the energy calculated in the second energy calculation step.SELECTED DRAWING: Figure 4
Need to check novelty before this filing date? Find Prior Art