| Autor: |
Silva Prado AD; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Leal LA; Department of Electrical Engineering, University of Brasília, Brasília, DF, CEP 70919-970, Brazil., de Brito PP; Department of Electrical Engineering, University of Brasília, Brasília, DF, CEP 70919-970, Brazil., de Almeida Fonseca AL; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Blawid S; Department of Electrical Engineering, University of Brasília, Brasília, DF, CEP 70919-970, Brazil., Ceschin AM; Department of Electrical Engineering, University of Brasília, Brasília, DF, CEP 70919-970, Brazil., Veras Mourão RH; Instituto de Biodiversidade e Florestas, University Federal do Oeste do Pará, Santarém, PA, CEP 68040-070, Brazil., da Silva Júnior AQ; Instituto de Biodiversidade e Florestas, University Federal do Oeste do Pará, Santarém, PA, CEP 68040-070, Brazil., Antonio da Silva Filho D; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil., Ribeiro Junior LA; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil. ribeirojr@unb.br., Ferreira da Cunha W; Institute of Physics, University of Brasília, 70.919-970, Brasília, Brazil. |
| Abstrakt: |
We present an extensive study of the optical properties of Myrcia sylvatica essential oil with the goal of investigating the suitability of its material system for uses in organic photovoltaics. The methods of extraction, experimental analysis, and theoretical modeling are described in detail. The precise composition of the oil in our samples is determined via gas chromatography, mass spectrometry, and X-ray scattering techniques. The measurements indicate that, indeed, the material system of Myrcia sylvatica essential oil may be successfully employed for the design of organic photovoltaic devices. The optical absorption of the molecules that compose the oil are calculated using time-dependent density functional theory and used to explain the measured UV-Vis spectra of the oil. We show that it is sufficient to consider the α-bisabolol/cadalene pair, two of the main constituents of the oil, to obtain the main features of the UV-Vis spectra. This finding is of importance for future works that aim to use Myrcia sylvatica essential oil as a photovoltaic material. |
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