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Light-induced C-H activation on single-atom doped plasmonic silver nanoparticles
R Sundheep1, Hyun Woo Kim1,2
1Department of Chemistry, Gwangju Insitute of Science and Technology, Gwangju, 61005, Republic of Korea. hwk@gist.ac.kr.
Physical Chemistry Chemical Physics : PCCP
|January 14, 2026
Summary
Single-atom dopants on silver nanoparticles enhance light-driven methane activation. Gallium dopants create orbital coupling, enabling C-H bond breaking at lower laser intensities for improved catalysis.
Area of Science:
- Catalysis and Materials Science
- Surface Science and Nanotechnology
Background:
- Methane conversion is challenging due to its high stability.
- Plasmonic antenna-reactor systems show potential for light-driven methane activation.
- The impact of single-atom dopants on these systems is not well understood.
Purpose of the Study:
- To investigate the role of single-atom dopants in Ag20 plasmonic nanoparticles for methane activation.
- To elucidate the mechanism of dopant-enhanced C-H bond activation under plasmonic irradiation.
Main Methods:
- Dynamic simulations of plasmon-induced bond-length variations.
- Computational modeling of single-atom doped Ag20 nanoparticles interacting with methane.
Main Results:
- Single-atom dopants significantly enhance C-H bond activation in methane.
- Gallium dopants induce strong orbital coupling with methane, facilitating bond activation.
- Dopant-enhanced activation occurs at substantially lower laser intensities compared to undoped systems.
Conclusions:
- Atomic-scale dopant modifications can control plasmon-molecule interactions.
- This study reveals a new mechanism for light-driven methane activation.
- Findings provide design principles for advanced plasmonic catalysts.
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