Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

Kim, In Soo; Borycz, Joshua; Platero-Prats, Ana E.; Tussupbayev, Samat; Wang, Timothy C.; Farha, Omar K.; Hupp, Joseph T.; Gagliardi, Laura; Chapman, Karena W.; Cramer, Christopher J.; Martinson, Alex B.  F.

doi:10.1021/acs.chemmater.5b01560

Title: Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

Journal Article · Tue Jul 14 00:00:00 EDT 2015 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.5b01560· OSTI ID:1391834

Kim, In Soo; Borycz, Joshua; Platero-Prats, Ana E.; Tussupbayev, Samat; Wang, Timothy C.; Farha, Omar K.; Hupp, Joseph T.; Gagliardi, Laura; Chapman, Karena W.; Cramer, Christopher J.; Martinson, Alex B. F.

Postsynthetic functionalization of metal organic frameworks (MOFs) enables the controlled, high-density incorporation of new atoms on a crystallographically precise framework. Leveraging the broad palette of known atomic layer deposition (ALD) chemistries, ALD in MOFs (AIM) is one such targeted approach to construct diverse, highly functional, few-atom clusters. We here demonstrate the saturating reaction of trimethylindium (InMe3) with the node hydroxyls and ligated water of NU-1000, which takes place without significant loss of MOF crystallinity or internal surface area. We computationally identify the elementary steps by which trimethylated trivalent metal compounds (ALD precursors) react with this Zr-based MOF node to generate a uniform and well characterized new surface layer on the node itself, and we predict a final structure that is fully consistent with experimental X-ray pair distribution function (PDF) analysis. We further demonstrate tunable metal loading through controlled number density of the reactive handles (-OH and -OH2) achieved through node dehydration at elevated temperatures.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research Center for Inorganometallic Catalyst Design (ICDC); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1391834

Journal Information:: Chemistry of Materials, Vol. 27, Issue 13; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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