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Information × Registration Number 0216U007548, 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 calculations of chemical shifts ostivnoho components of germanium atoms, which are included in the surface layer of the cluster Si96H84oGe2, modeling complex molecular adsorption of germanium on the verge reconstructed Si (001) (4 2) showed that the magnitude of the shift depends on the relative position of atoms Ge. When introducing a germanium atom in the crystal substrate, this shift is positive, and the introduction of two atoms leads to negative chemical shift. Given the interpretation of the results based on the charge distribution in clusters, the so-called electrostatic approximation. Product Description popup.authors Теребінська М.І. Ткачук О.І. popup.nrat_date 2020-04-02 Close