Emergent electronic properties in Co-deposited superatomic clusters

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 R...

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Bibliographic Details
Published in:The Journal of chemical physics 2021-09, Vol.155 (12), p.124309-124309
Main Authors: Fiedler, Holger, Schacht, Julia, Hammerschmidt, Lukas, Golovko, Vladimir, Gaston, Nicola, Halpert, Jonathan E.
Format: Article
Language:English
Subjects:
Charge materials
Clusters
Density functional theory
Electrical measurement
Electron states
Fourier transforms
Infrared spectroscopy
Optimization
Oxidation
Raman spectroscopy
Spectroscopic analysis
Spectrum analysis
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0060302