Deciphering orbital hybridization in heterogeneous catalysis

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 in...

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Bibliographic Details
Published in:Electron
Main Authors: Xiaoyang Yue, Lei Cheng, Eszter Baráth, Rajenahally V. Jagadeesh, Quanjun Xiang
Format: Article
Language:English
Published: Wiley 2024-02-01
Subjects:
catalysis
catalyst design and prediction
descriptors
interactions
orbital hybridization
Online Access:https://doi.org/10.1002/elt2.16

Internet

https://doi.org/10.1002/elt2.16

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