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Information × Registration Number 0216U008026, 0110U007542 , R & D reports Title Electronic, magnetic and kinetic properties of molecular nanosystems and inorganic nanoclusters popup.stage_title Head Petrov Elmar Grigoriyevich, Доктор фізико-математичних наук Registration Date 13-04-2016 Organization Bogolyubov Institute for Theoretical Physics of National Academy of Sciences of Ukraine popup.description2 The processes of formation of both stationary and transient currents, photocurrent as well as electroluminescence in the "electrode-molecule-electrode" system are studied using modern methods of molecular quantum mechanics. The decisive role of both inelastic distant (tunnel) electron transfer and sequential electron transport is determined for these processes. It is shown that asymmetry of the molecule-electrodes coupling considerably intensifies the transient processes caused by fast switching of voltage bias. The role of triplet state in a formation of high peak values of transient photocurrent through the molecule with large exchange interaction is cleared. Using multi-phase ligand-receptor structure as an example, it is found the constant of transition rate between the structure's energy levels. It is shown, that the log odds of the output state in respect to cooperativity of the transient process is fractional being bounded from below by the 2/е value. Moreover, approaching the log odds to this value is critical and leads to the break in stability of irreversible system. The modeling of conformational properties and electronic characteristics is done for a set of novel molecular complexes that are considered as promising materials in nanoelectronics. Changes of electronic properties due to conformational photoswitching are studied for terphenilethiazole-derivative of diarylethen molecule. The justification is found for experimental effect of switching of single molecule in monolayer by electric field. Product Description popup.authors Горощенко Сергій Якович Зелінський Ярослав Романович Капітанчук Олексій Леонідович Леонов Володимир Олександрович Петров Ельмар Григорович Тесленко Віктор Іванович Шевченко Євген Віталійович popup.nrat_date 2020-04-02 Close