The DOI matches its Crossref record; 29 of the 29 references it cites were found in a registry or an index.
On the Electronic and Atomic Structures of Small AuN- (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study
Abstract
We report a joint experimental and theoretical study of the electronic and atomic structures of small gold clusters with up to 14 atoms. Well-resolved photoelectron spectra were obtained for Au N - ( N = 1−14) at several photon energies. Even−odd alternations were observed, where the even-sized clusters (except Au 10 - ) exhibit an energy gap between the lowest binding energy peak and the rest of the spectrum, indicating that all the neutral even-sized clusters have closed shells. The Au 10 - spectrum reveals the existence of isomers, with the ground-state cluster exhibiting an extremely high electron binding energy. Evidence of multiple isomers was also observed in the spectra of N = 4, 8, 12, and 13. The structures of the gold cluster anions in the range N = 4−14 were investigated using first-principles simulations. A striking feature of the anionic clusters in this range is the occurrence of planar ground-state structures, which were predicted in earlier theoretical studies (Häkkinen, H.; et al. Phys. Rev. Lett. 2002, 89, 033401) and observed in ion-mobility experiments (Furche, F.; et al. J. Chem. Phys. 2002, 117, 6982) and the existence of close-lying isomers. The calculated electron detachment energies and density of states were compared with the measured data, which confirmed the ground-state structures of the anions. It is found that the main isomers observed experimentally indeed consist of planar clusters up to Au 12 -, whereas for Au 13 - and Au 14 - the theoretical results from three-dimensional isomers agree better with the experiment, providing further support for the 2D to 3D structural transition at Au 12 -, as concluded from previous ion mobility experiments. We also find that small neutral clusters exhibit a tendency to form two-dimensional structures up to a size of 13 atoms.
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Metadata
- Authors
- Häkkinen, H., Yoon, B., Landman, U., Li, X., Zhai, H.-J., & Wang, L.-S.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-07-23
- Volume
- 107
- Issue
- 32
- Pages
- 6168-6175
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W1977372139
- Cited by
- 631
- References
- 29
- FWCI
- 19.07
- Type
- journal article
- Language
- en
- Open access
- closed
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