A porous, electrically conductive hexa-zirconium( iv ) metal–organic framework

Goswami, Subhadip; Ray, Debmalya; Otake, Ken-ichi; Kung, Chung-Wei; Garibay, Sergio J.; Islamoglu, Timur; Atilgan, Ahmet; Cui, Yuexing; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T.

doi:10.1039/C8SC00961A

Title: A porous, electrically conductive hexa-zirconium( iv ) metal–organic framework

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Chemical Science

DOI:https://doi.org/10.1039/C8SC00961A· OSTI ID:1433741

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Department of Chemistry, Northwestern University, Evanston, USA
Department of Chemistry, Chemical Theory Center, Minnesota Supercomputing Institute, University of Minnesota, Minneapolis
Department of Chemistry, Northwestern University, Evanston, USA, Department of Chemistry

Engendering electrical conductivity in high-porosity metal–organic frameworks (MOFs) promises to unlock the full potential of MOFs for electrical energy storage, electrocatalysis, or integration of MOFs with conventional electronic materials. Here we report that a porous zirconium-node-containing MOF, NU-901, can be rendered electronically conductive by physically encapsulating C₆₀, an excellent electron acceptor, within a fraction (ca. 60%) of the diamond-shaped cavities of the MOF. The cavities are defined by node-connected tetra-phenyl-carboxylated pyrene linkers, i.e. species that are excellent electron donors. The bulk electrical conductivity of the MOF is shown to increase from immeasurably low to 10^-3 S cm^-1, following fullerene incorporation. The observed conductivity originates from electron donor–acceptor interactions, i.e. charge-transfer interactions – a conclusion that is supported by density functional theory calculations and by the observation of a charge-transfer-derived band in the electronic absorption spectrum of the hybrid material. Notably, the conductive version of the MOF retains substantial nanoscale porosity and continues to display a sizable internal surface area, suggesting potential future applications that capitalize on the ability of the material to sorb molecular species.

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Research Organization:: Univ. of Minnesota, Minneapolis, MN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

Grant/Contract Number:: FG02-17ER16362; SC0008688

OSTI ID:: 1433741

Alternate ID(s):: OSTI ID: 1506652

Journal Information:: Chemical Science, Journal Name: Chemical Science Vol. 9 Journal Issue: 19; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Cited by: 132 works

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