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

Nat Commun

School of Physics and Technology and Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, Wuhan University, Wuhan, 430072, China.

Published: July 2019

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 monolayer. Scanning tunneling microscopy reveals the C 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 C and BP reduce the inter-C 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 C acquires an effective mass of 0.53-0.70 m (m is the mass of free electrons), and has carrier mobility of ~200 to 440 cmVs. The substrate-mediated intermolecular van der Waals interactions provide a route to enhance charge delocalization in fullerenes and other organic semiconductors.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6662711PMC
http://dx.doi.org/10.1038/s41467-019-11300-yDOI Listing

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