Listar QFA_Articles por fuente "Journal of Physical Chemistry C, 2011, 115 (32)"
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Theoretical Investigation of the Hydrogenation of (TiO2)N Clusters (N = 1–10)
ACS (2011-07)We present density functional calculations of H2 adsorption on small-sized titania clusters for (TiO2)N, N = 1–10. Initial hydrogen atoms easily bind with adsorption energies larger than 10 kcal/mol only to terminal oxygen ...