We report an intercluster compound based on co-deposition of the Au cluster [Au9(PPh3)8](NO3)3 and the fulleride KC60(THF). Electronic properties characteristic for a charge interaction between superatoms emerge within the solid state material [Au9(PPh3)8](NO3)3−x(C60)x, as confirmed by UV–VIS and Raman spectroscopy and I–V measurements. These emergent properties are related to the superatomic electronic states of the initial clusters. The material is characterized by Fourier-transform infrared spectroscopy, x-ray diffraction, Raman spectroscopy, and electrical measurements. Structural optimization and ab initio band structure calculations are performed with density functional theory to interpret the nature of the electronic states in the material; Bader charge calculations assign effective oxidation states in support of the superatomic model of cluster interactions.
Emergent electronic properties in Co-deposited superatomic clusters
Holger Fiedler, Julia Schacht, Lukas Hammerschmidt, Vladimir Golovko, Nicola Gaston, Jonathan E. Halpert; Emergent electronic properties in Co-deposited superatomic clusters. J. Chem. Phys. 28 September 2021; 155 (12): 124309. https://doi.org/10.1063/5.0060302
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