2020
DOI: 10.1039/d0ra05865c
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The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

Abstract: The effects of DMA+ cation orientation on the electronic structures and magnetic properties of the metal–organic framework VNU-15 are investigated, and VNU-15 is proved to be a prospective material for photocatalytic applications.

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