Magnetic Tunability in RE-DOBDC MOFs via NOx Acid Gas Adsorption

Henkelis, Susan E.; Huber, Dale L.; Vogel, Dayton J.; Rimsza, Jessica M.; Nenoff, Tina M.

doi:10.1021/acsami.0c01813

Magnetic Tunability in RE-DOBDC MOFs via NO_x Acid Gas Adsorption

Journal Article · Mon Apr 06 00:00:00 EDT 2020 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.0c01813· OSTI ID:1619219

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Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

The magnetic susceptibility of NO_x-loaded RE-DOBDC (rare earth (RE): Y, Eu, Tb, Yb; DOBDC: 2,5-dihydroxyterephthalic acid) metal–organic frameworks (MOFs) is unique to the MOF metal center. RE-DOBDC samples were synthesized, activated, and subsequently exposed to humid NO_x. Each NO_x-loaded MOF was characterized by powder X-ray diffraction, and the magnetic characteristics were probed by using a VersaLab vibrating sample magnetometer (VSM). Lanthanide-containing RE-DOBDC (Eu, Tb, Yb) are paramagnetic with a reduction in paramagnetism upon adsorption of NO_x. Y-DOBDC has a diamagnetic moment with a slight reduction upon adsorption of NO_x. The magnetic susceptibility of the MOF is determined by the magnetism imparted by the framework metal center. The electronic population of orbitals contributes to determining the extent of magnetism and change with NO_x (electron acceptor) adsorption. Eu-DOBDC results in the largest mass magnetization change upon adsorption of NO_x due to more available unpaired f electrons. Experimental changes in magnetic moment were supported by density functional theory (DFT) simulations of NO_x adsorbed in lanthanide Eu-DOBDC and transition metal Y-DOBDC MOFs.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC04-94AL85000; SC0012577; NA0003525

OSTI ID:: 1619219

Report Number(s):: SAND2020-1087J; 683637

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 17 Vol. 12; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Magnetic Tunability in RE-DOBDC MOFs via NOx Acid Gas Adsorption

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