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Chemisorption on small clusters : can vertical detachment energy measurements provide chemical information? H on Au as a case study

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ChemPhysLett36120025_6.pdf
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2002

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Fischer, Dominik
Andreoni, Wanda
Curioni, Alessandro
Grönbeck, Henrik
Burkart, Stefan

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Chemical Physics Letters. 2002, 361(5-6), pp. 389-396. ISSN 0009-2614. eISSN 1873-4448. Available under: doi: 10.1016/S0009-2614(02)00972-7

Zusammenfassung

We present photodetachment spectra of monohydrogenated gold clusters, and investigate the origin of the vertical detachment energies (VDEs) using calculations based on density functional theory. We show that the standard interpretation that associates VDEs to ground-state isomers is not valid. We propose a new one that is consistent with both the most probable formation route and the structure of the parent clusters, and which gives excellent agreement with experiment. We discuss the implications our results have for the interpretation of VDEs when applied to the study of chemisorption in general.

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530 Physik

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ISO 690FISCHER, Dominik, Wanda ANDREONI, Alessandro CURIONI, Henrik GRÖNBECK, Stefan BURKART, Gerd GANTEFÖR, 2002. Chemisorption on small clusters : can vertical detachment energy measurements provide chemical information? H on Au as a case study. In: Chemical Physics Letters. 2002, 361(5-6), pp. 389-396. ISSN 0009-2614. eISSN 1873-4448. Available under: doi: 10.1016/S0009-2614(02)00972-7
BibTex
@article{Fischer2002Chemi-4965,
  year={2002},
  doi={10.1016/S0009-2614(02)00972-7},
  title={Chemisorption on small clusters : can vertical detachment energy measurements provide chemical information? H on Au as a case study},
  number={5-6},
  volume={361},
  issn={0009-2614},
  journal={Chemical Physics Letters},
  pages={389--396},
  author={Fischer, Dominik and Andreoni, Wanda and Curioni, Alessandro and Grönbeck, Henrik and Burkart, Stefan and Ganteför, Gerd}
}
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