Configurations Of Co Adsorption On Cu 111 A B And Cu 111 C D

Configurations Of Co Adsorption On Cu 111 A B And Cu 111 C D The co adsorption energies of bridge and atop configurations are À 0.73 ev and À 0.77 ev, respectively on the cu(111) surface while À 0.99 ev and À 0.93 ev on the cu(111) with defects (fig. Configurations of co adsorption on cu(111) (a, b) and cu(111) (c, d) with defects. e) the reaction energy diagram for *co hydrogenation to *cho and subsequent dimerization to *cocho with bridge.

Configurations Of Co Adsorption On Cu 111 A B And Cu 111 C D Co adsorption on cu(100), (110), and (111) surfaces has been extensively studied using kohn–sham density functional theory calculations. a holistic analysis of adsorption energies, charge transfer, and structural changes has been employed to highlight the variations in adsorption mechanisms upon changing the surface type and the adsorption site. The solvation effect makes co* adsorb at the hcp (hexagonal close packed) site of terrace on cu(2 11)( see figure 1 d)a nd weakenst he adsorption of co* on both cu(111)a nd (2 11)s urfaces by more. Stm images of (a) 0.11 ml and (b) 0.22 ml co on cu(111), respectively, imaged with a co island formation at 3 a distance can be seen, which corresponds to the 3 × 3 r 30° phase. island formation coincides with an increased mobility of the adsorbates on the surface at 15 k, which is apparent by varying island perimeters on consecutive scans. The calcd. vibrational frequency of co on cu(111) with 1 9 ml of zno species shows a decrease of up to 72 cm 1 from the co stretch frequency on clean cu(111). these calcd. co vibrational frequency decreases agree with the exptl. measured decrease (ca. 50 cm 1), suggesting that zn and or zno species may be present in the vicinity of active cu.