Research Article

Structure and Reverse Hydrogen Spillover in Mononuclear Au0 and AuI Complexes Bonded to Faujasite Zeolite: A Density Functional Study

Figure 1

Optimized structures of (a), (d) bare and (b), (c), (e) hydrogenated monomers of Au and Au+ adsorbed on the six member ring of faujasite zeolite.
467846.fig.001a
(a) Au/(3H-FAU) 
467846.fig.001b
(b) AuH/(2H-FAU)
467846.fig.001c
(c) AuH2/(H-FAU)
467846.fig.001d
(d) Au+/(2H-FAU)
467846.fig.001e
(e) Au+H/(H-FAU)