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Information × Registration Number 0224U002164, 0121U111599 , R & D reports Title Methods of modern theoretical modeling in studies of the properties of nanosystems involved in third-generation solar cells popup.stage_title Head Lobanov Viktor V., д.х.н. Registration Date 06-02-2024 Organization Chuiko Institute of Surface Chemistry of NAS of Ukraine popup.description2 The purpose of the work is to develop adequate methods for the theoretical description of the structure of nanoparticles and systems based on them involved in third-generation solar cells, study the dependence of their properties on geometric dimensions and dimensionality, and create an appropriate package of calculation modules; in the theoretical description of the properties of carbon nanoparticles: nanotubes, fullerenes and graphene-like clusters. The results obtained and their interpretation show that quantum chemical modeling of materials used in OSС makes it possible to replace the consideration of large polymer molecules with their lower oligomers and to optimally select their constituent elements to obtain the highest values of open circuit voltage. Product Description popup.authors Bilyuk Anatolii A. Varavka Olena V. Gichan Olga I. Gavrylyuk Oleksandr O. Hrebenyuk Anatolii H. Gromovyi Taras Yu. Demianenko Eugeniy M. Zolotarenko Anatoliy D. Zolotarenko Oleksandr D. Kanevskyi Vasyl I. Karpenko Oksana S. Kononenko Valentyna Ya. Korochkova Taisiya Ye. Laguta Valentin М. Mischanchuk Oleksandr V. Mashira Vasily O. Moshkivska Nadiya М. Покутній Сергій Іванович Rozenbaum Viktor M. Semchyk Oleksandr Yu. Smirnova Olesia V. Terebinska Mariya I. Teretc Andriy D. Tkachuk Olha I. Filonenko Oksana V. Tsendra-Boese Oksana M. Shkilov Victor P. Yurievа Karina А. popup.nrat_date 2024-02-06 Close