Fig. 5: Active sites and metallic property of CuMo6S8. | Nature Communications

Fig. 5: Active sites and metallic property of CuMo6S8.

From: Dual interfacial engineering of a Chevrel phase electrode material for stable hydrogen evolution at 2500 mA cm−2

Fig. 5

a Atomic structure of CuMo6S8. b–d Exposed (001), (101), (110) facets. Orange, dark blue and cyan spheres represent the copper, molybdenum and sulfur atoms, respectively. The marks show the main active sites in different crystal facets and corresponding subscripts represent the coordination number. e Gibbs free energy (ΔGH*) variations for HER on best active sites of three facets of CuMo6S8, sulfur site of MoS2 and Pt (111). f Density of states (DOS) and partial density of states (PDOS) of CuMo6S8.

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