期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 298, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2023.122744
关键词
PBFDO; Single molecule; Absorption spectra; Raman spectra; Electron transport; I-V curves
类别
This paper theoretically studies the absorption spectra, charge transfer, and electron transport properties of PBFDO polymers, and analyzes the physical mechanisms. It provides necessary theoretical guidance for the application of PBFDO in the field of nanoscale optoelectronics and device design.
Single-molecule plasmas are widely used in spectroscopic studies and plasma devices, and the organic conjugated molecular chain of poly (benzodifurandione) (PBFDO) has excellent electrical conductivity and unique electronic structure. Therefore, an in-depth theoretical study of the spectroscopic, charge transfer and electron transport properties of PBFDO polymers and the analysis of physical mechanisms are essential. In this work, the absorption spectra of neutral and charged PBFDO polymers of different sizes and periodic systems of PBFDO polymers are studied theoretically. The charge transfer modes of the different absorption peaks are also given. The Raman and resonance Raman properties of long-chain PBFDO polymers under 514 nm laser were revealed. The electron transport properties and Current-Voltage Characteristic (I-V) Curves of PBFDO devices were also investigated. This work will provide the necessary theoretical guidance for the application of PBFDO in the field of nanoscale optoelectronics and the design of devices.
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