Scanning tunneling microscope (STM) induced luminescence can be used to study various optoelectronic phenomena of single molecules and to understand the fundamental photophysical mechanisms involved. To clearly observe the molecule-specific luminescence, it is important to improve the quantum efficiency of molecules in the metallic nanocavity. In this work, we investigate theoretically the influence of an atomic-scale protrusion on the substrate on the emission properties of a point dipole oriented parallel to the substrate in a silver plasmonic nanocavity by electromagnetic simulations. We find that an atomic-scale protrusion on the substrate can strongly enhance the quantum efficiency of a horizontal dipole emitter, similar to the situation with a protrusion at the tip apex. We also consider a double-protrusion junction geometry in which there is an atomic-scale protrusion on both the tip and the substrate, and find that this geometry does provide significantly enhanced emission compared with the protrusion-free situation, but does not appear to improve the quantum efficiency compared to the mono-protrusion situation either at the tip apex or on the substrate. These results are believed to be instructive for future STM induced electroluminescence and photoluminescence studies on single molecules.
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February 2023
Research Article|
February 01 2023
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions
Special Collection:
Virtual Issue on Molecular Spectroscopy (2023)
Jia-Zhe Zhu;
Jia-Zhe Zhu
Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China
, Hefei 230026, China
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Gong Chen;
Gong Chen
Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China
, Hefei 230026, China
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Zhen-Chao Dong
Zhen-Chao Dong
*
Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China
, Hefei 230026, China
*Author to whom correspondence should be addressed. E-mail: [email protected]
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*Author to whom correspondence should be addressed. E-mail: [email protected]
Chin. J. Chem. Phys. 36, 1–8 (2023)
Article history
Received:
November 25 2021
Accepted:
January 24 2022
Citation
Jia-Zhe Zhu, Gong Chen, Zhen-Chao Dong; Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions. Chin. J. Chem. Phys. 1 February 2023; 36 (1): 1–8. https://doi.org/10.1063/1674-0068/cjcp2111224
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