Fig. 3: Catalytic performances and kinetic process studies. | Nature Communications

Fig. 3: Catalytic performances and kinetic process studies.

From: Unprecedentedly high activity and selectivity for hydrogenation of nitroarenes with single atomic Co1-N3P1 sites

Fig. 3

a Time course of nitrobenzene conversions over Co1/NPC and Co1/NC samples. The standard deviations were derived from three independent trials. Reaction conditions: 5 mg catalyst, 2 mmol nitrobenzene, 40 mL EtOH/H2O (v:v = 4:1), 110 °C, 3 MPa H2. b TOF of Co1/NPC and Co1/NC for the nitrobenzene hydrogenation. The TOF values were calculated at about 20% conversion. c The TOF values comparison of recently reported transition metal catalysts. d The experimental Arrhenius plots of Co1/NPC and Co1/NC. e Electron-density isosurface of Co atoms in two models. Blue color indicates positive charges and red color indicates negative charge. f Partial density of states (PDOS) of Co atoms in Co1/NPC and Co1/NC, the zero-energy corresponds to the Fermi level, and the d-band centers are inserted with the short dot.

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