Here the authors report a low temperature atomic diffusion approach for synthesis of stable cu cluster catalysts, which exhibit high yield of intermediate product in consecutive hydrogenation. We performed density functional theory (dft) based calculations to investigate the interaction of co 2 and its dissociated species (co and o) on cu 3 cluster supported on cu(1 1 1) (cu 3 cu(1 1 1)) surfaces. similar investigations were conducted on cu(1 1 1) for purpose of comparison.
The catalytic activity of cuo clusters, with the hydrogenation of 4 nitrophenol as a model reaction, proved to be extremely efficient and showed a rate constant of 130.0 s −1 g −1, outperforming the commercial pd c catalysts and reported state of the art noble metal catalysts (1.89–117.2 s −1 g −1). these clusters have abundant. In bulk, the coordination number of cu is 4. as exposed on the surface, half of the copper atoms are undercoordinated with coordination number of 3 which are supposed to be the reactive sites. in the m2 cv, the cuo nanocluster with ni doped shows coordination numbers of 2.4 2.4 with cu─o cu─n respectively (table s2, supporting information). Though cu forms three types of oxides, cuprous oxide (cu 2 o), cupric oxide (cuo), and cu 4 o 3, only cuo visible peaks are obtained in the xrd pattern. the presence of three discernible peaks corresponding to the cuo phase is cuo (002), cuo (111), and cuo (020) planes showing the effectiveness of the method adopted for the synthesis of cuo films. High resolution tem (hrtem) measurement was further conducted. specifically, ultrafine ru clusters are found at the cuo substrate (fig. 2 a).moreover, the crystal lattices of ru cuo la are well stacked with a rather order arrangement, and the interplanar distances are measured to be 0.252 and 0.231 nm, corresponding to the (−111) and (111) planes of cuo, respectively (figs. 2 b and 2 c).
Though cu forms three types of oxides, cuprous oxide (cu 2 o), cupric oxide (cuo), and cu 4 o 3, only cuo visible peaks are obtained in the xrd pattern. the presence of three discernible peaks corresponding to the cuo phase is cuo (002), cuo (111), and cuo (020) planes showing the effectiveness of the method adopted for the synthesis of cuo films. High resolution tem (hrtem) measurement was further conducted. specifically, ultrafine ru clusters are found at the cuo substrate (fig. 2 a).moreover, the crystal lattices of ru cuo la are well stacked with a rather order arrangement, and the interplanar distances are measured to be 0.252 and 0.231 nm, corresponding to the (−111) and (111) planes of cuo, respectively (figs. 2 b and 2 c). Figure 6. (a) cuo(110):cu, (b) cuo(110):cu–o, and (c) cuo(110):o surface structures after relaxation. left panel shows the side view of the (2 × 2) supercell, while the top view of a (1 × 1) cell is shown in the right panel. in side view figures, we have shown a (2 × 2) supercell for a clear visualization of bonding and atomic arrangements. Notably, the coordination number of cu−o n is lower than that of the cuo (cn = 4) with a litter shorter bond length (1.93 Å) (the bond length in cuo is 1.95 Å) suggesting that cu species with.
Figure 6. (a) cuo(110):cu, (b) cuo(110):cu–o, and (c) cuo(110):o surface structures after relaxation. left panel shows the side view of the (2 × 2) supercell, while the top view of a (1 × 1) cell is shown in the right panel. in side view figures, we have shown a (2 × 2) supercell for a clear visualization of bonding and atomic arrangements. Notably, the coordination number of cu−o n is lower than that of the cuo (cn = 4) with a litter shorter bond length (1.93 Å) (the bond length in cuo is 1.95 Å) suggesting that cu species with.
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