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Free keywords:
density functional calculations;
IR spectroscopy;
surface structures;
thin films;
zeolites
Abstract:
Flat pore models: Thin, well-defined aluminosilicate films with tetrahedral [SiO4/2] and [AlO4/2⁻] building blocks that are weakly bound to an underlying metal support contain highly acidic bridging OH species, which exhibit H–D exchange (see picture; Si yellow, O red, Al gray, C black, H white). These films are a model system for surface-science studies of the inner walls of zeolite pores.