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.
Bibliographical noteFunding Information:
The Universidad Nacional Autónoma de México (UNAM) is thanked for valuable computational resources and the Departamento de Investigación en Física at the Universidad de Sonora is appreciated for financial support. A.P.A. acknowledges CONACyT-México for financial support (project 24060). Supporting information with the x, y, z coordinates of the species examined are readily available online.