Computational modeling of open framework silicates: the case of ferrierite reveals intriguing links between mineralogy, material science, and applications

21 February 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

1) main text file of the paper: "Computational modeling of open framework silicates: probing straight bond angles in ferrierite reveals intriguing links between mineralogy, nanomaterial science and technological applications"
by F. Trudu, G. Tabacchi, E. Fois (pdf file)
2) supporting information (pdf file)
3) zip folder containing relevant data files in cif format

Twitter handle of the submitting author:
@BL76276

Keywords

zeolites
ferrierite
dft calculations
first principles molecular dynamics
high temperature processes
porous materials

Supplementary materials

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Supporting Information Trudu et al 20022019
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CIF files Trudu et al 20022019
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