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- Title
Realizing nearly-free-electron like conduction band in a molecular film through mediating intermolecular van der Waals interactions.
- Authors
Cui, Xingxia; Han, Ding; Guo, Hongli; Liu, Qing; Cui, Zhihao; Li, Yafei; Cao, Limin; Feng, Min; Zhou, Linwei; Qiao, Jingsi; Ji, Wei; Lin, Chungwei; Petek, Hrvoje
- Abstract
Collective molecular physical properties can be enhanced from their intrinsic characteristics by templating at material interfaces. Here we report how a black phosphorous (BP) substrate concatenates a nearly-free-electron (NFE) like conduction band of a C60 monolayer. Scanning tunneling microscopy reveals the C60 lowest unoccupied molecular orbital (LUMO) band is strongly delocalized in two-dimensions, which is unprecedented for a molecular semiconductor. Experiment and theory show van der Waals forces between C60 and BP reduce the inter-C60 distance and cause mutual orientation, thereby optimizing the π-π wave function overlap and forming the NFE-like band. Electronic structure and carrier mobility calculations predict that the NFE band of C60 acquires an effective mass of 0.53–0.70 me (me is the mass of free electrons), and has carrier mobility of ~200 to 440 cm2V−1s−1. The substrate-mediated intermolecular van der Waals interactions provide a route to enhance charge delocalization in fullerenes and other organic semiconductors. Fullerenes are promising organic semiconducting materials for electronic applications, but of low conductivity due to limited intermolecular hybridization. Cui et al. show a black phosphorous substrate organizes C60 monolayers to form delocalized semiconducting band with tens times enhanced conductivity.
- Subjects
FREE electron theory of metals; CONDUCTION bands; VAN der Waals clusters; MONOMOLECULAR films; FRONTIER orbitals
- Publication
Nature Communications, 2019, Vol 10, Issue 1, pN.PAG
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-019-11300-y