Self-organization of extraframework cations in zeolites

  title={Self-organization of extraframework cations in zeolites},
  author={EVGENY and A... and PIDKO and EMIEL and J. Manohar and Hensen and Rutger and VAN SANTEN},
  • EVGENY, A..., +5 authors VAN SANTEN
  • Published 2012
Structural properties of a series of mordenite and ZSM-5 zeolites with different framework Al distribution modified with oxygenated extraframework Ga, Zn, Al, Cu and Fe complexes were investigated by means of periodic density functional theory calculations. It is demonstrated that mononuclear oxygenated and hydroxylated cationic metal complexes in high… CONTINUE READING