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Realizing nearly-free-electron like conduction band in a molecular film through mediating intermolecular van der Waals interactions.


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 ?-? 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.

SUBMITTER: Cui X 

PROVIDER: S-EPMC6662711 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Realizing nearly-free-electron like conduction band in a molecular film through mediating intermolecular van der Waals interactions.

Cui Xingxia X   Han Ding D   Guo Hongli H   Zhou Linwei L   Qiao Jingsi J   Liu Qing Q   Cui Zhihao Z   Li Yafei Y   Lin Chungwei C   Cao Limin L   Ji Wei W   Petek Hrvoje H   Feng Min M  

Nature communications 20190729 1


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 C<sub>60</sub> monolayer. Scanning tunneling microscopy reveals the C<sub>60</sub> lowest unoccupied molecular orbital (LUMO) band is strongly delocalized in two-dimensions, which is unprecedented for a molecular semiconductor. Experiment and the  ...[more]

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