Fig. 2: TOF for NH3 synthesis over Ru. | Nature Communications

Fig. 2: TOF for NH3 synthesis over Ru.

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

Fig. 2

a Calculated TOFs on Ru surfaces and NPs versus strain. The error bars are smaller than the data marks and are calculated as the standard deviation of 16 simulations. b TOF distributions for 256 different randomly strained Ru NPs at σ values of 0.05, 0.10, and 0.15, respectively. The green shadings represent the span of the reported experimental TOF. Inset: One example of a strain configuration for each σ value. Tensile strain is marked in red, whereas compressive strain is marked in blue. Deeper color represents a higher strain. Temperature: 673 K, Pressure: \(p_{{{\mbox{N}}}_{2}}\) = 2.5 bar, \(p_{{{\mbox{H}}}_{2}}\) = 7.5 bar.

Back to article page