In present work we analyzed some electronic properties involved during the adsorption of <strong>BH</strong><sub>4-</sub> on Cu(100), Ag(100) and Au(100) surfaces. Reactivity descriptors such as ionization energy, hardness, electrophilicity, frontier molecular orbitals, condensed Fukui function, adsorption energies and density of states were calculated to identify changes in the reactivity on Cu(100), Ag(100) and Au(100). The results suggest the <strong>BH</strong><sub>4-</sub> adsorption is favored on Cu(100) more than on Ag(100) or Au(100). The <strong>BH</strong><sub>4-</sub> <strong>-</strong>Au(100) system showed higher values of <em>μ</em> and <em>ω</em> in comparison with <strong>BH</strong><sub>4-</sub> <strong>-</strong>Ag(100) and <strong>BH</strong><sub>4-</sub> <strong>-</strong>Cu(100) systems. Last results suggest that gold is a better electron acceptor in comparison with silver and copper. Also, the fraction of electrons transferred during the <strong>BH</strong><sub>4-</sub> adsorption was calculated indicating a bigger electron transfer from <strong>BH</strong><sub>4-</sub> to Cu(100) compared to Au and Ag.
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