Resonant Photoemission Observations and DFT Study of s–d Hybridization in Catalytically Active Gold Clusters on Ceria Nanorods


  • This research was supported by Nebraska Center for Energy Sciences, National Science Foundation through Nebraska MRSEC (DMR-0820521), Nebraska Center for Materials and Nanoscience (DMR-0960110) and NSF-EPSCoR program (EPS-1010674), Department of Energy (DE-EE0003174), and Army Research Office (W911NF-10-2-0099). The University of Nebraska Holland Computing Center has provided computations resources. We thank the University of North Texas and Center for Advanced Microstructures & Devices for the use of their facilities. We are grateful to Dr. David Diercks and Dr. Yaroslav Losovyj for their help with microscopy and spectroscopy experiments.


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Up shift: 6s–5d hybridization and the up-shift of the 5d band to the Fermi level is demonstrated in catalytically active gold clusters on a cerium oxide nanorod support by using resonant photoemission spectroscopy and density functional theory modeling. These results help to explain the high catalytic activity of this system in CO oxidation.