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

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 correspondin...

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Bibliographische Detailangaben
Hauptverfasser: LIN MIN, XU BO, OUYANG CHUYING, LUAN KE
Format: Patent
Sprache:chi ; eng
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Beschreibung
Zusammenfassung: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 exchan