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Träfflista för sökning "WFRF:(Pohl Annika) srt2:(2010-2014)"

Search: WFRF:(Pohl Annika) > (2010-2014)

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2.
  • Lagerqvist, Ulrika, et al. (author)
  • Synthesis and characterization of cobalt oxide and composite thin films
  • 2014
  • In: Advances in Materials. - : Science Publishing Group. - 2327-2503. ; 3:5, s. 52-57
  • Journal article (peer-reviewed)abstract
    • Cobalt oxide and composite thin films were synthesized by spin-coating technique, followed by heating to 500°C in oxidizing, inert, or reducing atmospheres. Methanolic solutions of triethanolamine complexes of cobalt acetates and nitrates were spin-coated at 1000, 2000, and 3000 rpm. The influence of heating parameters and film thickness on the phase content of the films were investigated, using grazing incidence X-ray diffraction, X-ray reflectivity, and scanning electron microscopy. By tuning the synthesis parameters, Co3O4, CoO and Co films were obtained, as well as CoO-Co and Co3O4-CoO composite films of varying phase ratios.
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3.
  • Lenz, Annika, et al. (author)
  • Computational study of the catalytic effect of platinum on the decomposition of DNT
  • 2012
  • In: International Journal of Quantum Chemistry. - : Wiley-Blackwell. - 0020-7608 .- 1097-461X. ; 112:7, s. 1852-1858
  • Journal article (peer-reviewed)abstract
    • The catalytic decomposition of dinitrotoluene (DNT; 3-4-DNT), a by-product of the explosive trinitrotoluene (trotyl), on a platinum surface is investigated computationally. Reaction paths have been computed for a DNT molecule interacting with a Pt-cluster under varying temperatures using quantum-chemical density functional theory. Two possible initiation steps where DNT split either into nitro-tolyl and NO2, or in nitro-tolyl-oxidanyl and NO, are considered. The energy barrier for the catalytic process is found to decrease significantly for the Pt catalyzed reaction compared with the uncatalyzed reaction.
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4.
  • Lenz, Annika, et al. (author)
  • The electronic structure and reflectivity of PEDOT:PSS from density functional theory
  • 2011
  • In: Chemical Physics. - : Elsevier Science B.V., Amsterdam.. - 0301-0104 .- 1873-4421. ; 384:03-jan, s. 44-51
  • Journal article (peer-reviewed)abstract
    • The geometric and electronic structure of condensed phase organic conducting polymer PEDOT:PSS blends has been investigated by periodic density functional theory (DFT) calculations with a generalized-gradient approximation (GGA) functional, and a plane wave basis set. The influence of the degree of doping of the PEDOT polymer on structural and optical parameters such as the reflectivity, absorbance, conductivity, dielectric function, refractive index and the energy-loss function is studied. A flip from the benzoid to the quinoid structure is observed in the calculations when the neutral PEDOT is doped by negatively charged PSS. Also the optical properties are affected by the doping. In particular, the reflectivity was found to be very sensitive to the degree of doping, where higher doping implies higher reflectivity. The reflectivity is highly anisotropic, with the dominant contribution stemming from the direction parallel to the PEDOT polymer chain.
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  • Result 1-6 of 6

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