Photoelectron spectroscopy and density functional calculations of AgSi(n)- (n = 3-12) clusters.

J Chem Phys

Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

Published: June 2013

We investigated the structural evolution and electronic properties of AgSi(n)(-) (n = 3-12) clusters using anion photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies and adiabatic detachment energies of AgSi(n)(-) (n = 3-12) clusters were estimated from their photoelectron spectra. The structures of the AgSi(n)(-) (n = 3-12) clusters were tentatively assigned based on the comparison of theoretical calculations and experimental measurements. The studies show that the structures of AgSi(n)(-) (n = 3-12) clusters are dominated by exohedral structures with the Ag atom occupying the low coordinated sites. No endohedral structure has been found for AgSi(n)(-) clusters with n ≤ 12.

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http://dx.doi.org/10.1063/1.4811659DOI Listing

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Similar Publications

Photoelectron spectroscopy and density functional calculations of AgSi(n)- (n = 3-12) clusters.

J Chem Phys

June 2013

Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

We investigated the structural evolution and electronic properties of AgSi(n)(-) (n = 3-12) clusters using anion photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies and adiabatic detachment energies of AgSi(n)(-) (n = 3-12) clusters were estimated from their photoelectron spectra. The structures of the AgSi(n)(-) (n = 3-12) clusters were tentatively assigned based on the comparison of theoretical calculations and experimental measurements.

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