Fig. 3: Analysis of NH3 synthesis reaction. | Nature Communications

Fig. 3: Analysis of NH3 synthesis reaction.

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

Fig. 3

a Normalized rates of N2 dissociation and NH2 hydrogenation steps versus GCN. b Degree of Rate Control (DRC) analysis versus strain on simplified models with GCN 4.0 and 8.0. The contribution to the DRC from N2 dissociation on GCN = 4 sites is negligible and have been omitted. The NH2 hydrogenation on GCN = 8 is small and not visible. c Schematic volcano analysis on Ru NPs. d TOF on inhomogeneous strained Ru NPs. e TOF versus particle sizes for NPs with respect to the number of surface atoms (red squares) and the number of particle atoms (blue triangles). The curves are fitted by cubic polynomials. f TOF versus particle sizes with respect to high GCN sites. The TOFs are calculated by keeping all sites active (green diamonds) and disabling low GCN sites (orange circles). Temperature: 673 K, Pressure: \(p_{{{\mbox{N}}}_{2}}\) = 2.5 bar, \(p_{{{\mbox{H}}}_{2}}\) = 7.5 bar.

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