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Photoelectron spectroscopy and density functional calculations of AgSin (n = 3–12) clusters
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10.1063/1.4811659
/content/aip/journal/jcp/138/24/10.1063/1.4811659
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/24/10.1063/1.4811659

Figures

Image of FIG. 1.
FIG. 1.

Photoelectron spectra of AgSi (n = 3–12) clusters recorded with 266 nm photons.

Image of FIG. 2.
FIG. 2.

Low-lying isomers of AgSi (n = 3–12) clusters. The relative energies to the most stable isomers are listed under the geometric structures. The dark cyan spheres stand for silicon atoms and the red ones for silver atoms.

Image of FIG. 3.
FIG. 3.

Comparison of the experimental photoelectron spectra of AgSi (n = 3–12) clusters with their simulated DOS spectra. The simulations were conducted by fitting the distribution of the transition lines with unit-area Gaussian functions of 0.2 eV FWHM (Full Width at Half Maximum).

Image of FIG. 4.
FIG. 4.

NPA charges on the metal atom of the most stable isomers of MSi (M = Ag, Cu) clusters.

Tables

Generic image for table
Table I.

Relative energies, theoretical VDEs and ADEs of the low-lying isomers of AgSi (n = 3–12) clusters, as well as the experimental VDEs and ADEs estimated from their photoelectron spectra. The isomers labeled in bold are the most probable isomers in the experiments.

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/content/aip/journal/jcp/138/24/10.1063/1.4811659
2013-06-28
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photoelectron spectroscopy and density functional calculations of AgSin− (n = 3–12) clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/24/10.1063/1.4811659
10.1063/1.4811659
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