Semiconducting Paddle-Wheel Metal-Organic Complex with aCompact Cu-S Cage br

Developing new semiconducting materials to meetthe demands of modern high technology is an urgent issue. Here,we report on a zero-dimensional (0D) metal-organic complexsemiconductor having a unique paddle-wheel nanostructure[Cu6(mpy)6]nbased on a compact Cu-S cage. Computationalresults suggest that this nanomaterial exhibits unique semi-conducting behavior with a significant charge carrier separationupon excitation with a direct bandgap of 1.8 eV. Experimentalmeasurements including AC conductivities as well as diffusereflection spectra confirmed its bandgap properties (1.9 eV), whichare comparable to bandgaps for other commonly availablesemiconducting materials. The overallfindings reveal that thisCu-based paddle-wheel metal-organic complex represents apromising 0D semiconductor with a unique structural architecture and has significant electronic features. Thefindings presentedin this study promise to open up a new pathway that could lead to the development of metal-organic complexes containing shape-dependent semiconducting behavior.