Short Communication
The puzzling optical-absorption and photoelectron spectra of neutral and anionic Ag8 clusters

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Abstract

The optical absorption and photoelectron spectra (PES) of neutral and anionic Ag8 clusters have been studied using the particle-swarm optimization technique and time-dependent density functional theory. The results demonstrate that the enigmatic optical-absorption spectrum of neutral Ag8 cluster is derived from the ground state structure with Td symmetry rather than the almost degenerate isomer with D2d symmetry. The transitions at 3.57–3.65 eV should be ascribed to the neutral fragment cluster Ag7. Meantime, the optical-absorption and PES of neutral and anionic Ag8 cluster are for the first time given a reasonable unified explanation.

Keywords

Optical absorption
Photoelectron spectra
Photolysis of cluster
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