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Sökning: WFRF:(Kozlovskaya S)

  • Resultat 1-6 av 6
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  • Pitsevich, G. A., et al. (författare)
  • Some useful correlations for H-bonded systems
  • 2020
  • Ingår i: Molecular Crystals and Liquid Crystals. - : Informa UK Limited. - 1542-1406 .- 1563-5287. ; 696:1, s. 15-28
  • Tidskriftsartikel (refereegranskat)abstract
    • Structure and spectral characteristics of eight compounds with hydrogen bonds of different strength were calculated at the B3LYP/cc-pVTZ level of theory. A wide range of variation of the hydrogen bond strength in the analyzed compounds allowed us to obtain correlation dependences between the structural characteristics of the hydrogen bridge, the calculated values of the frequencies of stretching vibrations of donor hydroxyl groups, the values of the force constants of hydroxyl and hydrogen bonds, and the dissociation energies of hydrogen bonds. The obtained correlations can be used to evaluate a number of characteristics in compounds with hydrogen bonds.
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  • SVEKALAPKO Seismic Tomography Working Group (SSTWG): G. Bock, U. Achauer, A. Alinaghi, J. Ansorge, M. Bruneton, W. Friederich, M. Grad, A. Guterch, S.-E. Hjelt, T. Hyvönen, J.-P. Ikonen, E. Kissling, K. Komminaho, A. Korja, P. Heikkinen, E. Kozlovskaya, M (författare)
  • Seismic probing of Fennoscandian Lithosphere
  • 2002
  • Ingår i: EOS, Trans. Am. geophys. Un.. ; 82:621, s. 628-629
  • Tidskriftsartikel (refereegranskat)
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  • Walls, B., et al. (författare)
  • Nanodomain structure of single crystalline nickel oxide
  • 2021
  • Ingår i: Scientific Reports. - : Nature Portfolio. - 2045-2322. ; 11:1
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work we present a comprehensive study of the domain structure of a nickel oxide single crystal grown by floating zone melting and suggest a correlation between point defects and the observed domain structure. The properties and structure of domains dictate the dynamics of resistive switching, water splitting and gas sensing, to name but a few. Investigating the correlation between point defects and domain structure can provide a deeper understanding of their formation and structure, which potentially allows one to tailor domain structure and the dynamics of the aforementioned applications. A range of inhomogeneities are observed by diffraction and microscopy techniques. X-ray and low-energy electron diffraction reveal domains on the submicron- and nanometer-scales, respectively. In turn, these domains are visualised by atomic force and scanning tunneling microscopy (STM), respectively. A comprehensive transmission electron microscopy (TEM) study reveals inhomogeneities ranging from domains of varying size, misorientation of domains, variation of the lattice constant and bending of lattice planes. X-ray photoelectron spectroscopy and electron energy-loss spectroscopy indicate the crystal is Ni deficient. Density functional theory calculations-considering the spatial and electronic disturbance induced by the favourable nickel vacancy-reveal a nanoscale distortion comparable to STM and TEM observations. The different inhomogeneities are understood in terms of the structural relaxation induced by ordering of nickel vacancies, which is predicted to be favourable.
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  • Resultat 1-6 av 6

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