期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 134, 期 9, 页码 4153-4162出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja209115e
关键词
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资金
- Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-09ER16090]
- Robert A. Welch Foundation [F-0032, F-1601]
- Institute of Computational and Engineering Sciences at The University of Texas at Austin
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
- Synchrotron Catalysis Consortium, U.S. Department of Energy [DE-FG02-05ER15688]
The voltammetry of Cu underpotential deposition (UPD) onto Pt atoms (Pt-147) is correlated to density functional theory (DFT) calculations. Pt dendrimer-encapsulated nanoparticles (DENs) containing an average of 147 Specifically, the voltammetric peak positions are in good agreement with the calculated energies for Cu deposition and stripping on the Pt(100) and Pt(111) facets of the DENs. Partial Cu shells on Pt-147 are more stable on the Pt(100) facets, compared to the Pt(111) facets, and therefore, Cu UPD occurs on the 4-fold hollow sites of Pt(100) first. Finally, the structures of Pt DENs having full and partial monolayers of Cu were characterized in situ by X-ray absorption spectroscopy (XAS). The results of XAS studies are also in good agreement with the DFT-optimized models.
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