The adsorption of single Au atom and nucleation on γ-Al2O3 surfaces

Single-atom catalysts (SACs) in heterogeneous catalysts have attracted increasing attention and the adsorption and nucleation of single atom on the surface are closely related to the performance of the catalyst. The present work employed density functional theory calculations to examine the adsorpti...

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Veröffentlicht in:	Journal of molecular modeling 2023-02, Vol.29 (2), p.41-41, Article 41
Hauptverfasser:	Hu, Song, Wang, Peijie, Gao, Rui, Bi, Fenglei, Shi, Xue-Rong
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Alternations Aluminum oxide Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Density functional theory Electron density Electronic structure Molecular Medicine Nucleation Original Paper Single atom catalysts Surface chemistry Theoretical and Computational Chemistry Transitional aluminas
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