Fig. 6: Relationship between HER activity and the dz2 orbital energy level. | Nature Communications

Fig. 6: Relationship between HER activity and the dz2 orbital energy level.

From: Water induced ultrathin Mo2C nanosheets with high-density grain boundaries for enhanced hydrogen evolution

Fig. 6

a Structural models and relevant electronic states of Mo d orbital for MoC3 configurations. S1: MoC3 triangular plane, S2: intermediate height, S3: high height. PDOS of Mo d orbital for b S2 and c S3 structures. d Schematic diagram of hybridization of H 1 s orbital and Mo dz2 orbital. e Correlation of the Mo dz2 orbital energy level and Hads, inset is the corresponding fitting equation.

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