Search academic texts

Information × Registration Number 0216U007547, 0116U006292 , R & D reports Title Adsorption processes on the surface of crystalline silicon; quantum chemical approach popup.stage_title Head Terebinska Mariya Ivanivna, к.х.н. Registration Date 21-12-2016 Organization Institute of Surface Chemistry of the National Academy of Sciences of Ukraine popup.description2 The method of DFT (B3LYP, 6-31G **) calculated equilibrium spatial structure Si96H84 cluster, which simulates a piece relaksovanoyi surface of Si (001) and adsorption systems of atoms and Ge dimer Ge2 on the verge of Si (001). The types of active centers verge of Si (001), which is atomic adsorption and Ge dimer Ge2, and the corresponding energy structures of surface compounds. Product Description popup.authors Теребінська М.І. Ткачук О.І. popup.nrat_date 2020-04-02 Close