Fig. 3 | Nature Communications

Fig. 3

From: Balancing hydrogen adsorption/desorption by orbital modulation for efficient hydrogen evolution catalysis

Fig. 3The alternative text for this image may have been generated using AI.

Theoretical calculations of the hydrogen adsorption configured for Ir and IrNC. a, b The isosurfaces of the electron density difference for Ir and IrNC with H adsorption, respectively. c The projected density of states (DOS) distribution of adsorbed H and surficial Ir sites in IrNC, respectively. d The calculated free energy diagram of HER on the surface of Ir and IrNC at the equilibrium potential, respectively

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