2024
DOI: 10.1016/j.catcom.2024.106901
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Electronic distribution and dynamics as catalytic descriptors in heterogeneous catalysis: A mini review

Yamkela Nzuzo,
Charles O. Oseghale,
Amarachi Chike-Ekwughe
et al.
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“…Moreover, in many studies, the possibility of inducing non-stoichiometry and charge compensation mechanisms is considered another important tool to create defects such as oxygen vacancies inducing high oxygen mobility, unusual element valence states, such as Fe(IV), and active redox couples [18]. For perovskite-type oxides, for instance, activity descriptors based on the occupancy by electrons in the orbitals of the active metal were proposed to explain material catalytic properties [166].…”
Section: Considerations On Chemical Compositions and Stabilitymentioning
confidence: 99%
“…Moreover, in many studies, the possibility of inducing non-stoichiometry and charge compensation mechanisms is considered another important tool to create defects such as oxygen vacancies inducing high oxygen mobility, unusual element valence states, such as Fe(IV), and active redox couples [18]. For perovskite-type oxides, for instance, activity descriptors based on the occupancy by electrons in the orbitals of the active metal were proposed to explain material catalytic properties [166].…”
Section: Considerations On Chemical Compositions and Stabilitymentioning
confidence: 99%