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Information × Registration Number 0223U000198, 0120U102245 , R & D reports Title Effectively ecologically safe thermoelectric materials in multicomponent selenide systems. popup.stage_title Head Barchiy Igor Evgenovich, Доктор хімічних наук Registration Date 05-01-2023 Organization Uzhhorod National University State Higher Educational Institution popup.description2 For the first time, the thermal conductivity coefficient for Cu7PS6 was calculated using the DFT method, which is commensurate with the experimental data obtained for individual compounds and solid solutions of the Cu7PS6–Cu7PSe6 system. It was determinated that high values of power factor are observed for the compound Cu7PSe6 (2.9 – 7.4 µW/m×K2). The diffuse reflection spectra of (Cu1-xAgx)7PSe6 solid solutions samples in the 220 – 1400 nm spectral range were investigated at first time. The optical band gap values were calculated using the Tauc plot, applied to the transformed diffuse reflectance spectra with the help of the Kubelka-Munk function. The electrical parameters of the grown single crystal samples were investigated by the method of impedance spectroscopy, at first time. It was established that the studied samples belong to electron-ion conductors with a significant predominance of the electronic component. Temperature dependence of the Seebeck coefficient were investigated, it was established that the figure of merit maximum values is observed for a (Cu0.66Ag0.34)7PSe6 single crystalline sample (α from -700 to -450 µV/K). Based on XPS results, a model for calculating the optical characteristics of Ag(Tl)Sb(Bi)P2Se6 crystals was selected, indicating their anisotropy and absorption of electromagnetic radiation in a wide optical range of 2–18 eV. It was established that the studied seleno-hypodiphosphates belong to indirect bandgap semiconductors and are characterized by significant anisotropy of optical constants, which makes them promising for use in optoelectronic devices for the IR region.  Product Description popup.authors Malakhovskaya Tetiana O. Pogodin Artem I. Sabov Victoria I. Sabov Marjan Yu. Stercho Ivanna P Filep Michail Yo. popup.nrat_date 2023-01-05 Close