Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles

Author:

Balestra Salvador R. G.12ORCID,Martínez-Haya Bruno1ORCID,Cruz-Hernández Norge3ORCID,Lewis Dewi W.4,Woodley Scott M.4ORCID,Semino Rocio25ORCID,Maurin Guillaume2ORCID,Ruiz-Salvador A. Rabdel1ORCID,Hamad Said1ORCID

Affiliation:

1. Departamento de Sistemas Físicos, Químicos y Naturales, Universidad Pablo de Olavide, Ctra. Utrera km 1, 41013 Seville, Spain

2. ICGM, Univ. Montpellier, CNRS, ENSCM, Montpellier, France

3. Departamento de Física Aplicada I, Escuela Politécnica Superior, Universidad de Sevilla, Sevilla, Spain

4. Department of Chemistry, University College London, 20 Gordon St., London, WC1H 0AJ, UK

5. Sorbonne Université, CNRS, Physico-chimie des Electrolytes et Nanosystèmes Interfaciaux, PHENIX, F-75005 Paris, France

Abstract

A range of Density Functional Theory and Tight Binding calculations are employed to investigate the pre-nucleation processes that lead to the formation of ZIF crystals, finding that amorphous clusters might play a key role.

Funder

Agencia Estatal de Investigación

European Regional Development Fund

Consejería de Transformación Económica, Industria, Conocimiento y Universidades

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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