High-pressure, high temperature insertion of bismuth in the siliceous zeolite silicalite-1

Yixuan Zhao (1) , Sébastien Clément (2) , Vasyl Veremeienko (1) , Pierre Toulemonde (3) , Thomas Hansen (4) , Arie van Der Lee (5) , Bruno Alonso (1) , Jérôme Rouquette (1) , Patrick Hermet (1) , Romain Viennois (1) , Julien Haines (1)

1 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
2 L2C - Laboratoire Charles Coulomb
3 NEEL - MRS - Matériaux, Rayonnements, Structure
4 ILL - Institut Laue-Langevin
5 IEM - Institut Européen des membranes

A silicalite-1/bismuth composite was synthesized by insertion of liquid bismuth in the 5.5 Å diameter pores of the zeolite under high-pressure, high-temperature conditions. The insertion of bismuth stabilizes the structure with respect to pressure-induced amorphization. Transmission electron microscopy indicated the presence of chains of atoms, which correspond to the 5.5 Å diameter of the host silicalite-1 structure. Neutron powder diffraction also confirmed the insertion of Bi in the pores of silicalite-1. Density functional theory calculations indicate that the insertion of bismuth results in formation of chains with short and long Bi-Bi distances in the pores of the host silicalite-1 linked to the framework by van der Waal's interactions. The material is predicted to be a semiconductor with a band gap of 0.4 eV.

Mots clés: Semiconductor; Bismuth; Silicalite-1; High pressure; Guest insertion

Domaines: Matériaux; Chimie inorganique

Yixuan Zhao, Sébastien Clément, Vasyl Veremeienko, Pierre Toulemonde, Thomas Hansen, et al.. High-pressure, high temperature insertion of bismuth in the siliceous zeolite silicalite-1. Solid State Sciences, 2019, 97, pp.106001. ⟨10.1016/j.solidstatesciences.2019.106001⟩. ⟨hal-02305569⟩