Through-space hopping transport in an iodine-doped perylene-based metal-organic framework

Electrically conductive metal-organic frameworks (MOFs) have emerged in the past few years as promising materials towards applications in (opto)electronics, electrocatalysis and energy storage, among others. One of the most common strategies for the design of conductive MOFs is based on the use of e...

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Published inMolecular systems design & engineering Vol. 7; no. 9; pp. 165 - 172
Main Authors Valente, Gonçalo, Esteve-Rochina, María, Paracana, Ana, Rodríguez-Diéguez, Antonio, Choquesillo-Lazarte, Duane, Ortí, Enrique, Calbo, Joaquín, Ilkaeva, Marina, Mafra, Luís, Hernández-Rodríguez, Miguel A, Rocha, João, Alves, Helena, Souto, Manuel
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 30.08.2022
Subjects
Conductors
Current carriers
Electrical resistivity
Energy storage
Iodine
Ligands
Metal-organic frameworks
Oxidation
Quantum chemistry
Single crystals
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Summary:Electrically conductive metal-organic frameworks (MOFs) have emerged in the past few years as promising materials towards applications in (opto)electronics, electrocatalysis and energy storage, among others. One of the most common strategies for the design of conductive MOFs is based on the use of electroactive organic ligands and their partial oxidation/reduction to increase the number of charge carriers. Although perylene salts were reported as the first molecular conductors, they have been scarcely explored as building blocks for the construction of conductive MOFs. Herein we report the electrical conductivity enhancement of a microporous perylene-based MOF upon partial ligand oxidation by using two-probe single-crystal devices. The origin of the conductivity enhancement is rationalised by means of spectroscopic studies and quantum-chemical calculations, supporting a through-space hopping transport along the herringbone perylene packing. This study opens the way for the design of conductive MOFs based on perylene building blocks. We report the electrical conductivity enhancement of a perylene-based MOF upon partial ligand oxidation. The conductivity enhancement is rationalised by quantum-chemical calculations, supporting a through-space hopping transport.
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https://doi.org/10.1039/d2me00108j
Electronic supplementary information (ESI) available: General methods and materials, synthesis of H
I
PTCA and
quantum-chemical calculations. See DOI
Per-MOF
iodine doping and characterisation of
ISSN:2058-9689
2058-9689
DOI:10.1039/d2me00108j