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

Cui, Xingxia; Han, Ding; Guo, Hongli; Zhou, Linwei; Qiao, Jingsi; Liu, Qing; Cui, Zhihao; Li, Yafei; Lin, Chungwei; Cao, Limin; Ji, Wei; Petek, Hrvoje; Feng, Min

doi:10.1038/s41467-019-11300-y

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

Journal Article · Mon Jul 29 00:00:00 EDT 2019 · Nature Communications

DOI:https://doi.org/10.1038/s41467-019-11300-y· OSTI ID:1610690

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Wuhan Univ. (China). School of Physics and Technology and Key Lab. of Artificial Micro- and Nano-Structures of Ministry of Education
Renmin Univ. of China, Beijing (China). Beijing Key Lab. of Optoelectronic Functional Materials & Micro-Nano Devices
Mitsubishi Electric Research Lab., Cambridge, MA (United States)
Univ. of Pittsburgh, PA (United States). Pittsburgh Quantum Inst.
Wuhan Univ. (China). School of Physics and Technology and Key Lab. of Artificial Micro- and Nano-Structures of Ministry of Education, Inst. for Advanced Studies

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 m_e (m_e 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.

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Research Organization:: Univ. of Pittsburgh, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; Chinese Academy of Sciences (CAS); National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: SC0002313; 2017YFA0303500; 2017YFA0303504; XDB30000000; 11574364; 11622437; 61674171; 16XNLQ01

OSTI ID:: 1610690

Journal Information:: Nature Communications, Vol. 10, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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