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Issue 40, 2018

Predicting the structural evolution of Gen (3 ≤ n ≤ 20) clusters: an anion photoelectron spectroscopy simulation

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Abstract

Spectroscopic evidence for the structural evolution of Gen (3 ≤ n ≤ 20) clusters is provided by means of simulated anion photoelectron spectra (PES). Both adiabatic detachment energies and HOMO–LUMO gaps of the selected low-lying candidates match well with those measured in experiment. This work demonstrates that PES is a highly sensitive technique for probing both electronic and geometric structures of atomic clusters, whose structural evolution is an elemental signature with characteristic features.

Graphical abstract: Predicting the structural evolution of Gen− (3 ≤ n ≤ 20) clusters: an anion photoelectron spectroscopy simulation

Supplementary files

Article information


Submitted
27 Jul 2018
Accepted
17 Sep 2018
First published
17 Sep 2018

Phys. Chem. Chem. Phys., 2018,20, 25746-25751
Article type
Paper

Predicting the structural evolution of Gen (3 ≤ n ≤ 20) clusters: an anion photoelectron spectroscopy simulation

W. An, Phys. Chem. Chem. Phys., 2018, 20, 25746 DOI: 10.1039/C8CP04782K

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