Predicted Efficient Visible-Light Driven Water Splitting and Carbon Dioxide Reduction Using Photoredox-Active UiO-NDI Metal Organic Framework

Pratik, Saied Md; Cramer, Christopher J.

doi:10.1021/acs.jpcc.9b05693

Title: Predicted Efficient Visible-Light Driven Water Splitting and Carbon Dioxide Reduction Using Photoredox-Active UiO-NDI Metal Organic Framework

Journal Article · Tue Jul 23 00:00:00 EDT 2019 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.9b05693· OSTI ID:1712744

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Univ. of Minnesota, Minneapolis, MN (United States)

The structural and electronic properties of metal–organic frameworks (MOFs) constructed from stable Zr(IV) oxide-based nodes and naphthalenediimide-based linkers (UiO(Zr)-NDI) can be tuned to make them useful for specific photoredox processes. The NDI linker presents outside, inside, and core positions where functionalization can influence its optical properties, and such substitution in combination with suitable optical band gaps and band edge positions in UiO(Zr)-NDI offers a platform for the design of efficient MOF-based photocatalysts for water splitting and CO₂ reduction. Here, the band gaps and edge positions remain similar for UiO nodes when Zr is substituted with Ti, Th, or Ce. However, in contrast to the case for Zr-, Ti-, and Th-based UiO-NDIs, where photoexcitation remains localized on the NDI linkers owing to the very high energies of unoccupied node-based bands, for UiO(Ce)-NDI, the availability of low-lying empty f orbitals in the metal node offers the potential for energy transfer and exciton migration, which could further boost photocatalytic performance by extending exciton lifetimes.

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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 & Biosciences Division

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

OSTI ID:: 1712744

Journal Information:: Journal of Physical Chemistry. C, Vol. 123, Issue 32; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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