期刊
CHEMICAL PHYSICS LETTERS
卷 721, 期 -, 页码 38-42出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2019.02.020
关键词
Absorption spectrum; Plasmon; Time-dependent density functional theory; Acene
资金
- Sichuan Provincial Education Department [16ZA0262, 17ZA0275]
Experimental observations have confirmed that the addition of a single electron to polycyclic aromatic hydrocarbons (PAHs) can excite the plasmon resonances in visible region (Lauchner a al., 2015). To gain more information, we fulfill a fully quantum-mechanical study of tunable plasmonic behavior in acene. The absorption spectra demonstrate that the molecular plasmons are tunable by addition or removal of single electrons. However, the plasmon exhibits a sharp different tunability for electron doping and hole doping due to the asymmetry electronic structure. Furthermore, the plasmon resonances in doped acene show a nearly linear relationship between the plasmon wavelength and molecule length.
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