Fig. 1: DFT calculation of PtFeCoNiCu HEA model. | Nature Communications

Fig. 1: DFT calculation of PtFeCoNiCu HEA model.

From: Unusual Sabatier principle on high entropy alloy catalysts for hydrogen evolution reactions

Fig. 1: DFT calculation of PtFeCoNiCu HEA model.The alternative text for this image may have been generated using AI.

a The HEA (111) structure with Pt concentration gradient. b The electron localization function (ELF) contour for HEA (111) plane. The red areas represent rich electron distributions. c Partial density of states (PDOS) of d-band on surface Pt atoms in HEAs with different strains. The Fermi level is set to be 0 and the vertical dashed line is the d-band center (εd). d Gaussian distribution of adsorption free energy of H* (ΔGH*) with the corresponding μ and σ on HEAs with different strains.

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