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21st International Young Scientists Conference Optics and High Technology Material Science - SPO 2020 ONLINE

25-26 September 2020
Taras Shevchenko National University of Kyiv
Europe/Kiev timezone

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New KuQuinone for solar cells applications

26 Sep 2020, 14:30
4m
Online (Taras Shevchenko National University of Kyiv)

Online

Taras Shevchenko National University of Kyiv

64/13, Volodymyrska Street, City of Kyiv, Ukraine, 01601

Speaker

Oleksandra Bugera (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv)

Description

We have investigated the structural, morphological and optical properties of dibenzofluorene derivative, which is part of the new sub-class of dibenzofluorenes, due to its existence as a zwitterion, in contrast to other KuQuinones. Microstructural and morphological characterization data, as well as powder X-ray diffraction study, confirm the amorphism of dibenzofluorene derivative in the present form. The Eg value calculated from the absorption and transmission spectra of thin films indicates the ease of the electrons transporting from the HOMO level to the LUMO level during light absorption. The optimization of the dibenzofluorene derivative was performed using density functional theory (DFT) by the M06-2X/cc-pVTZ + PCM (CH3CN) method. The UV spectra were calculated using CAM-B3LYP/cc-pVTZ and W97X/cc-pVTZ + PCM (CH3CN) methods. Our theoretical results confirm and explain the obtained experimental data. As a result, this material is expected to be applied as a light harvester thin-film and an optoelectronic design for further applications.

Topics Session D. Biomedical optics and sensors technology

Primary authors

Oleksandra Bugera (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv) Dr Amine El Haimeur (Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz) Dr Igor Levkov (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv) Dr Tetyana Yegorova (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv) Dr Andrii Kysil (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv) Irina Konovalova (SSI “Institute for Single Crystals” NAS of Ukraine) Dr Svitlana Shishkina (SSI “Institute for Single Crystals” NAS of Ukraine) Dr Bakkali Hicham (Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz) Dr Eduardo Blanco (Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz) Prof. Zoia Voitenko (Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv)

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