Fig. 5: Theoretical understanding of the formation of PtFe IMC. | Nature Communications

Fig. 5: Theoretical understanding of the formation of PtFe IMC.

From: In-situ atomic tracking of intermetallic compound formation during thermal annealing

Fig. 5

a Calculated energy analysis of a Fe atom alloying with a Pt9 cluster. b Calculated energy analysis of a Fe atom alloying with a Pt45Fe14 cluster. CI-NEB: climbing image-nudged elastic band. c Binary phase diagrams of Pt-Fe. d Schematic illustration of the formation process of PtFe IMC. Source data are provided as a Source Data file.

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