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Signature of Metallic Behavior in the Metal–Organic Frameworks M 3 (hexaiminobenzene) 2 (M = Ni, Cu)

Jin‐Hu Dou, Lei Sun, Yicong Ge, Wenbin Li, Christopher H. Hendon, Ju Li, Sheraz Gul, Junko Yano, Eric A. Stach, Mircea Dincă

📄 Abstract

(HIB = hexaiminobenzene) are bulk electrical conductors and exhibit ultraviolet-photoelectron spectroscopy (UPS) signatures expected of metallic solids. Electronic band structure calculations confirm that in both materials the Fermi energy lies in a partially filled delocalized band. Together with additional structural characterization and microscopy data, these results represent the first report of metallic behavior and permanent porosity coexisting within a metal-organic framework.

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