Regioselective atomic layer deposition in metal–organic frameworks directed by dispersion interactions

Gallington, Leighanne C.; Kim, In Soo; Liu, Wei-Guang; Yakovenko, Andrey A.; Platero-Prats, Ana E.; Li, Zhanyong; Wang, Timothy C.; Hupp, Joseph; Farha, Omar K.; Truhlar, Donald G.; Martinson, Alex B. F.; Chapman, Karena W.

doi:10.1021/jacs.6b08711

Title: Regioselective atomic layer deposition in metal–organic frameworks directed by dispersion interactions

Journal Article · Mon Oct 03 00:00:00 EDT 2016 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.6b08711· OSTI ID:1339610

Gallington, Leighanne C.; Kim, In Soo; Liu, Wei-Guang; Yakovenko, Andrey A.; Platero-Prats, Ana E.; Li, Zhanyong; Wang, Timothy C.; Hupp, Joseph; Farha, Omar K.; Truhlar, Donald G.; Martinson, Alex B. F.; Chapman, Karena W.

The application of atomic layer deposition (ALD) to metal–organic frameworks (MOFs) offers a promising new approach to synthesize designer functional materials with atomic precision. While ALD on flat substrates is well established, the complexity of the pore architecture and surface chemistry in MOFs present new challenges. Through in situ synchrotron X-ray powder diffraction, we visualize how the deposited atoms are localized and redistribute within the MOF during ALD. We demonstrate that the ALD is regioselective, with preferential deposition of oxy-Zn(II) species within the small pores of NU-1000. As a result, complementary density functional calculations indicate that this startling regioselectivity is driven by dispersion interactions associated with the preferential adsorption sites for the organometallic precursors prior to reaction.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

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

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1339610

Journal Information:: Journal of the American Chemical Society, Vol. 138, Issue 41; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 69 works

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Stable Metal-Organic Frameworks: Design, Synthesis, and Applications Yuan, Shuai; Feng, Liang; Wang, Kecheng Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201704303	journal	February 2018
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Vapor-Phase Infiltration inside a Microporous Porphyrinic Metal–Organic Framework for Postsynthesis Modification De, Siddhartha; Quan, Gia Co; Gikonyo, Ben Inorganic Chemistry, Vol. 59, Issue 14 https://doi.org/10.1021/acs.inorgchem.0c01250	journal	July 2020
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