Fig. 1: Construction of potential energy landscapes for NH3 synthesis on Ru. | Nature Communications

Fig. 1: Construction of potential energy landscapes for NH3 synthesis on Ru.

From: Inherent strain and kinetic coupling determine the kinetics of ammonia synthesis over Ru nanoparticles

Fig. 1

a Adsorption energies versus Generalized Coordination Number (GCN) for each surface species (The data points are shown in Supplementary Tables 1–6.) Inset: energy barriers of N2 dissociation step versus reaction energy. b Potential energy surfaces of sites with GCN of 9, 6.5, and 4. The vertical shadings link the potential energy surface to the intermediates. Inset: the Ru780 NP colored according to the GCN of atop sites.

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