•  
  •  
 
Nano Research

Article Title

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

Authors

Liwei Liu, 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
Thomas Dienel, 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
Gino Günzburger, Empa, Swiss Federal Laboratories for Materials Science and Technology, Duebendorf CH-8600, Switzerland
Teng Zhang, School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing 100081, China
Zeping Huang, School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing 100081, China
Cong Wang, Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China
Roland Widmer, Empa, Swiss Federal Laboratories for Materials Science and Technology, Duebendorf CH-8600, Switzerland
Wei Ji, Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China
Yeliang Wang, School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing 100081, China
Oliver Grning, Empa, Swiss Federal Laboratories for Materials Science and Technology, Duebendorf CH-8600, Switzerland

Keywords

hexagonal boron nitride, phthalocyanine, single atomic vacancy, molecular orbital, scanning tunneling microscopy

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.

Graphical Abstract

Publisher

Tsinghua University Press

Share

COinS