Plasmonic nanoclusters can strongly absorb light energy and generate hot carriers, which have great potentials in photovoltaic and photocatalytic applications. A vital step for those plasmonic applications is the charge transfer at the metal–semiconductor interface. The effect of the light polarization on the charge transfer has not been theoretically investigated so far. Here, we take the Ag–TiO2 system as a model system to study the polarization effect using time-dependent density functional theory simulations. We find that the charge transfer is sensitive to the light polarization, which has its origin in the polarization-dependent hot carrier distributions. For the linearly polarized light, it shows a sine-square dependence on the polar angle, indicating that the charge transfer response to the linear polarization can be decomposed into components perpendicular and parallel to the interface. We also find that there exists directional charge transfer with a circular light polarization. Our results demonstrate that the light polarization can significantly affect the charge transfer behavior and, thus, offer a new degree of freedom to manipulate the plasmonic applications.
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28 June 2022
Research Article|
June 28 2022
Effect of light polarization on plasmon-induced charge transfer Available to Purchase
Special Collection:
Plasmon-Driven Energy Conversion
Jie Ma
;
Jie Ma
a)
(Conceptualization, Data curation, Formal analysis, Funding acquisition, Methodology, Project administration, Visualization, Writing – original draft, Writing – review and editing)
1
Key Lab of Advanced Optoelectronic Quantum Architecture and Measurement (MOE), School of Physics, Beijing Institute of Technology
, Beijing 100081, China
a)Author to whom correspondence should be addressed: [email protected]
Search for other works by this author on:
Jiayuan Wang;
Jiayuan Wang
(Data curation, Formal analysis, Visualization, Writing – original draft)
1
Key Lab of Advanced Optoelectronic Quantum Architecture and Measurement (MOE), School of Physics, Beijing Institute of Technology
, Beijing 100081, China
Search for other works by this author on:
Jie Ma
1,a)
Jiayuan Wang
1
Shiwu Gao
2,b)
1
Key Lab of Advanced Optoelectronic Quantum Architecture and Measurement (MOE), School of Physics, Beijing Institute of Technology
, Beijing 100081, China
2
Beijing Computational Science Research Center
, Beijing 100193, China
a)Author to whom correspondence should be addressed: [email protected]
b)
Electronic mail: [email protected]
Note: This paper is part of the JCP Special Topic on Plasmon-Driven Energy Conversion.
J. Chem. Phys. 156, 244704 (2022)
Article history
Received:
April 03 2022
Accepted:
June 06 2022
Citation
Jie Ma, Jiayuan Wang, Shiwu Gao; Effect of light polarization on plasmon-induced charge transfer. J. Chem. Phys. 28 June 2022; 156 (24): 244704. https://doi.org/10.1063/5.0094444
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