COMPARATIVE ANALYSIS OF QUANTUM-CHEMICAL METHODS FOR CALCULATION ELECTRONIC CHARACTERISTICS OF POLYTHIOPHENES USED IN SOLAR ELEMENTS
I. N. NurgaliyevInstitute of Polymer Chemistry and Physics / Academy of Sciences of the Republic UzbekistanН. Д. БурхановаInstitute of Polymer Chemistry and Physics / Academy of Sciences of the Republic UzbekistanС. Ш. РашидоваInstitute of Polymer Chemistry and Physics / Academy of Sciences of the Republic Uzbekistan
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Аннотация
In this paper, a comparative analysis of semiempirical quantum chemical methods for calculating the energy of highest occupied molecular orbital (EHOMO) for various polythiophenes used in hybrid solar cells is carried out. The energies of the highest occupied ЕВЗМО (eV) molecular orbitals calculated by quantum-chemical methods. Models built using HyperChem 8.0. software
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