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| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Exhibition Hall 2+3 |
| Time |
10월 20일 (금요일) 13:00~14:30 |
| Code |
PHYS.P-84 |
| Subject |
Atomic dipole approximation for quantum plasmon simulation of nanoparticles |
| Authors |
JAECHANG LIM, Sungwoo Kang, Jaewook Kim, WOO YOUN KIM*, SEOL RYU1,*
Department of Chemistry, Korea Advanced Institute of Science and Technology, Korea
1Department of Chemistry, Chosun University, Korea
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| Abstract |
Noble metal nanoparticles of which sizes are comparable to light wavelengths show characteristic colors due to the strong absorption/scattering of light in the visible region. Electromagnetic waves induce the collective oscillation of free electrons in the particles, which is referred to as localized surface plasmon resonances. Such an intriguing feature can be tuned by the size, shape, materials, and surrounding environments of nanoparticles for various applications in chemistry, physics, and biomedical fields. However, plasmonic nanoparticles in the quantum regime (1 ~ 10 nm) exhibit unusual optical properties that cannot be described by classical theories. Time-dependent density functional theory may serve as an effective and versatile tool for study on optical properties of such systems, but its application has been limited to very small clusters due to rapidly growing computational costs. For quantum plasmon simulations, we propose an atomistic dipole-interaction model which takes care of the interactions between induced dipoles with atomic polarizabilities purely obtained from TDDFT. Our new method shows very good agreement with TDDFT for plasmonic spectra of small silver clusters at much lower computational cost, though it is not appropriate for molecular-like excitations. In particular, it could remarkably reproduce the plasmonic band shift experimentally observed in sub-10 nm silver particles. |
| E-mail |
ljchang94@kaist.ac.kr |
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120th General Meeting of the KCS