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. 2021 Oct 29;12:6261. doi: 10.1038/s41467-021-26425-2

Fig. 4. DFT calculations of HOR paths on HEA SNWs.

Fig. 4

a The top view after geometry optimizations. The dark green, brown, purple, orange, light green, and pink balls represent Pt, Ni, Co, Fe, Mo, and Ru atoms, respectively. b The 3D contour plot of electronic distributions near the Fermi level. c The PDOSs. Site-dependent PDOSs of d Pt-5d, e Ni-3d, f Co-3d, g Fe-3d and h Mo-4d. i The HBE comparison between HEA SNWs/C, Pt (111) and PtRu (111). Holw = Hollow sites. Brg = Bridge sites. j The OH binding energy on HEA SNWs/C. k The energetic trend of HOR on HEA SNWs/C, Pt (111) and PtRu (111).