10.1021/acs.jpcc.6b11594.s004
Jean-Marc Thibaud
Jean-Marc
Thibaud
Jérôme Rouquette
Jérôme
Rouquette
Patrick Hermet
Patrick
Hermet
Kamil Dziubek
Kamil
Dziubek
Federico A. Gorelli
Federico A.
Gorelli
Mario Santoro
Mario
Santoro
Gaston Garbarino
Gaston
Garbarino
Frederico G. Alabarse
Frederico G.
Alabarse
Olivier Cambon
Olivier
Cambon
Francesco Di Renzo
Francesco Di
Renzo
Arie van der Lee
Arie
van der Lee
Julien Haines
Julien
Haines
High-Pressure Phase Transition, Pore Collapse, and
Amorphization in the Siliceous 1D Zeolite, TON
American Chemical Society
2017
amorphization
nonpenetrating pressure-transmitting media
1- D pore system
pore Cmc 2 1 phase
Siliceous 1 D Zeolite
Cmc 2 1
GPa
High-Pressure Phase Transition
DFT calculations
Pbn 2 1 phase transition
siliceous zeolite TON
Pbn 2 1 structure
2017-02-13 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/High-Pressure_Phase_Transition_Pore_Collapse_and_Amorphization_in_the_Siliceous_1D_Zeolite_TON/4678849
The siliceous zeolite
TON with a 1-D pore system was studied at
high pressure by X-ray diffraction, infrared spectroscopy, and DFT
calculations. The behavior of this material was investigated using
nonpenetrating pressure-transmitting media. Under these conditions,
a phase transition from the <i>Cmc</i>2<sub>1</sub> to a <i>Pbn</i>2<sub>1</sub> structure occurs at close to 0.6 GPa with
doubling of the primitive unit cell based on Rietveld refinements.
The pores begin to collapse with a strong increase in their ellipticity.
Upon decreasing the pressure below this value the initial structure
was not recovered. DFT calculations indicate that the initial empty
pore <i>Cmc</i>2<sub>1</sub> phase is dynamically unstable.
Irreversible, progressive pressure-induced amorphization occurs upon
further increases in pressure up to 21 GPa. These changes are confirmed
in the mid- and far-infrared spectra by peak splitting at the <i>Cmc</i>2<sub>1</sub> to <i>Pbn</i>2<sub>1</sub> phase
transition and strong peak broadening at high pressure due to amorphization.