Cover Feature: Ab Initio Molecular Dynamics Study of H2 Dissociation Mechanisms on Cu13 and Defective Graphene‐supported Cu13 Clusters: Active Sites, Energy Barriers and Adsorption States (ChemPhysChem 19/2023)

ChemPhysChem(2023)

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摘要
The Cover Feature shows the preferred reaction mechanisms of H2 dissociation on Cu13 and defective graphene-supported Cu13 clusters. The dissociation energy barrier on defective graphene-supported Cu13 clusters is considerably lower compared to pure Cu13 clusters, and the average adsorption energy of dissociated H atoms on defective graphene-supported Cu13 clusters is also greatly enhanced. More information can be found in the Research Article by Yueru Li and Dunyou Wang.
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关键词
graphene‐supported,adsorption states,molecular
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