d带中心与配位理论.pptVIP

配位理论 Hongliang Xin Federico Calle-Vallejo Fig6. Adsorption energies of *OH atop, described by generalized (left) and hydrogen-containing species against CN and In usual (right) coordination numbers of the sites to which the adsorbate is bound. For example : CN=(9/12*6+12/12*3) Calle‐Vallejo F, Martínez J I, García‐Lastra J M, et al. Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers[J]. Angewandte Chemie International Edition, 2014, 53(32): 8316-8319. Fig7. Trends in the adsorption energies of extended surfaces as a function of CN (left)