Screening method and screening device for doped elements for improving water stability of material
数据来源:EPO OPS
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卷宗概要
申请号
CN202310270784
发明人
LIN MIN; LUAN KE; XU BO; OUYANG CHUYING
申请日
Mar 20, 2023
公开日
Sep 20, 2024
专利族 ID
92723396
IPC 分类
CPC 分类
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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