Deciphering orbital hybridization in heterogeneous catalysis
Xiaoyang Yue,
Lei Cheng,
Eszter Baráth
et al.
Abstract:The catalytic coordinate is essentially the evolving frontier orbital interaction while feeding with catalytic materials and adsorbates under proper reaction conditions. The heterogeneous catalytic reaction mechanism involves the initial adsorption and activation of reactants, subsequent intermediate transformation, final target product desorption, and regeneration of catalytic materials. In these catalytic processes, interaction modulations in terms of orbital hybridization/coupling allow an intrinsic control… Show more
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