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Screening method and screening device for doped elements for improving water stability of material

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Source: EPO OPS

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92723396Family
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Dossier Overview

Applicant

NINGDE CONTEMPORARY AMPEREX TECH CO LTD

Application number

CN202310270784

Inventor

LIN MIN; LUAN KE; XU BO; OUYANG CHUYING

Filing Date

Mar 20, 2023

Publication Date

Sep 20, 2024

Patent Family ID

92723396

IPC Classification

G06F30/20G16C10/00G16C20/10G16C60/00

CPC Classification

G06F30/20G16C10/00G16C20/10G16C60/00G06F2119/14Y02E60/10

The invention provides a screening method and screening device for doping elements for improving the water stability of a material, and the screening method comprises the steps that N reactant models and N product models are obtained, and the N reactant models comprise a reference model corresponding to a base material, the reference model is formed by N reactant models, the N-1 doping models are formed by doping N-1 to-be-screened elements in the reference model, the N reactant models and water are subjected to ion exchange reaction to correspondingly form the N product models, and N is an integer larger than or equal to 2; the formation energy of each of the N reactant models and the N product models is obtained through calculation; a target element is determined from the N-1 to-be-screened elements according to the formation energy, and the exchange energy of the ion exchange reaction between the doping model corresponding to the target element and water is larger than the exchange energy of the ion exchange reaction between the reference model and water. According to the invention, the screening efficiency of doped elements can be improved.

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