Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 123, Issue 32, Pages 19778-19785Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.9b05693
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Funding
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-17ER16362]
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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. 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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