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Electron binding energies and Dyson orbitals of Al(5)O(m)(-) (m=3,4,5) and Al(5)O(5)H(2)(-)

Author

Guevara-Garcia, Alfredo
Martinez, Ana
Ortiz, J.V.

Publisher

AIP Publishing

Abstract

Photoelectron spectra of Al5Om − m=3–5 and of the anion produced by the dissociative adsorption of a water molecule by Al5O4 − are interpreted with density-functional geometry optimizations and electron-propagator calculations of vertical electron detachment energies. For Al5O3 − , Al5O4 − , and Al5O5H2 − , the observed signals may be attributed to the most stable isomer of each anion. For Al5O5 − , the features in the photoelectron spectrum are due to three almost isoenergetic isomers.