fig10

Figure 10. (A) Energy profiles of the optimal reaction pathway for the hydrogenation of nitrobenzene into aniline on single atom Pt@g-C₃N₄ catalyst^[182]; (B) Proposed possible reaction pathways for the reduction of nitrobenzene into aniline through direct routes (the reaction pathway in blue is the optimal one)^[182]; (C) Top and side views of (A) parallel adsorption via nitro N, (B) vertical adsorption via nitro N, (C) parallel adsorption via nitro O, and (D) vertical adsorption via nitro O of nitrobenzene on the Co-N₄/C surface^[5]; (D) The adsorption and dissociation energies of H₂ on different active sites on Ni₁/NSPC, Ni_NPs/NSPC, and Ni_1+NPs/NSPC^[5]; (E) Energy barriers for H-transfer at different positions on Ni_1+NPs/NSPC^[5]; (F) Relationship between the Ea of the dominant H₂ dissociation and the second N-O bond breaking step of PhNOH* + H* → PhN* + H₂O in nitrobenzene hydrogenation^[13]. NP: Nanoparticle.