Author/Authors :
Jalbout، نويسنده , , Abraham F. and Posada-Amarillas، نويسنده , , Alvaro and Ordٌَez-Campos، نويسنده , , Artemis and Moreno-Armenta، نويسنده , , Guadalupe and Galvلn، نويسنده , , Donald H. and Petranovskii، نويسنده , , Vitalii، نويسنده ,
Abstract :
We have explored the stability of InX (X ⩽ 9) clusters to accept excess electrons or to remove an electron from its valence regions. The electron affinities as well as ionization potentials are correlated to HOMO–LUMO gaps and geometrical structure by the use of density functional theory (DFT)-B3PW91 calculations. Our results are encouraging and suggest structural explanations for the observed energetic profiles.
