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Research Article

Investigating molecular orbitals with submolecular precision on pristine sites and single atomic vacancies of monolayer h-BN

Liwei Liu1,2( ), Thomas Dienel2,3, Gino Günzburger2, Teng Zhang1, Zeping Huang1, Cong Wang4, Roland Widmer2, Wei Ji4, Yeliang Wang1, Oliver Gröning2( )
School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing 100081, China
Empa, Swiss Federal Laboratories for Materials Science and Technology, Duebendorf CH-8600, Switzerland
Department of Materials Science and Engineering, Cornell University and NSF-MIP Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM), Ithaca, NY 14853, USA
Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China
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Abstract

Understanding the influence of adsorption sites to the electronic properties of adsorbed molecules on two-dimensional (2D) ultrathin insulator is of essential importance for future organic-inorganic hybrid nanodevices. Here, the adsorption and electronic states of manganese phthalocyanine (MnPc) on a single layer of hexagonal boron nitride (h-BN) have been comprehensively studied by low-temperature scanning tunneling microscopy/spectroscopy and tight binding calculations. The frontier orbitals of the MnPc can change drastically by reversible manipulation of individual MnPc molecules onto and away from the single atomic vacancies at the h-BN surface. Particularly, the change of the molecular electronic configuration can be controlled depending on whether the atomic vacancy is below the metal center or the ligand of the MnPc. These findings give new insight into defect-engineering of the organic-inorganic hybrid nanodevices down to submolecular level.

Keywords

hexagonal boron nitridephthalocyaninesingle atomic vacancymolecular orbitalscanning tunneling microscopy

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Nano Research
Volume 13 Issue 8,
August 2020
Pages 2233-2238
DOI: 10.1007/s12274-020-2842-5
Cite this article:
Liu L, Dienel T, Günzburger G, et al. Investigating molecular orbitals with submolecular precision on pristine sites and single atomic vacancies of monolayer h-BN. Nano Research, 2020, 13(8): 2233-2238. https://doi.org/10.1007/s12274-020-2842-5
Topics:
Boron nitrideElectronic propertiesElectronic states IIIMonolayersNanostructured materialsScanning tunneling microscopyTemperatureV semiconductors

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Received: 05 November 2019
Revised: 05 April 2020
Accepted: 30 April 2020
Published: 05 August 2020
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2020
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