Electron binding energies and Dyson orbitals of Al5Om- (m=3,4,5) and Al5O5H2- |
| |
Authors: | Guevara-García Alfredo Martínez Ana Ortiz J V |
| |
Institution: | Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior Sin Número, Ciudad Umversitaria, P.O. Box 70-360 Coyoacán, 04510 Distrito Federal, Mexico. |
| |
Abstract: | Photoelectron spectra of Al(5)O(m)(-) (m=3-5) and of the anion produced by the dissociative adsorption of a water molecule by Al(5)O(4)(-) are interpreted with density-functional geometry optimizations and electron-propagator calculations of vertical electron detachment energies. For Al(5)O(3)(-), Al(5)O(4)(-), and Al(5)O(5)H(2)(-), the observed signals may be attributed to the most stable isomer of each anion. For Al(5)O(5)(-), the features in the photoelectron spectrum are due to three almost isoenergetic isomers. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|