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Keywords:

  • density functional calculations;
  • IR spectroscopy;
  • surface structures;
  • thin films;
  • zeolites
Thumbnail image of graphical 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.