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Träfflista för sökning "WFRF:(Palmer R) srt2:(2000-2004)"

Sökning: WFRF:(Palmer R) > (2000-2004)

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  • Adey, J., et al. (författare)
  • Degradation of boron-doped Czochralski-grown silicon solar cells
  • 2004
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 93:5, s. 055504-1
  • Tidskriftsartikel (refereegranskat)abstract
    • The formation mechanism and properties of the boron-oxygen center responsible for the degradation of Czochralski-grown Si(B) solar cells during operation is investigated using density functional calculations. We find that boron traps an oxygen dimer to form a bistable defect with a donor level in the upper half of the band gap. The activation energy for its dissociation is found to be 1.2 eV. The formation of the defect from mobile oxygen dimers, which are shown to migrate by a Bourgoin mechanism under minority carrier injection, has a calculated activation energy of 0.3 eV. These energies and the dependence of the generation rate of the recombination center on boron concentration are in good agreement with observations.
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  • Festy, F., et al. (författare)
  • Imaging surfaces with reflected electrons from a field-emission STM: image contrast mechanisms
  • 2001
  • Ingår i: Journal of Physics D. - : Institute of Physics (IOP). - 0022-3727 .- 1361-6463. ; :34, s. 1849-
  • Tidskriftsartikel (refereegranskat)abstract
    • Electrons backscattered from a scanning tunnelling microscope operating in the field emission mode have been collected to produce images of a rough Si(111) surface. We have obtained a spatial resolution of about 40 nm in such images. Comparison between backscattered electron images and topographic images reveals that edge enhancement and shadowing are important contrast mechanisms.
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  • Hegelund, F, et al. (författare)
  • The infrared spectrum of isothiazole in the range 600-1500 cm(-1), including a high-resolution study of the v(11)(A ') band at 818cm(-1) and the v(16)(A '') band at 727cm(-1), together with ab initio studies of the full spectrum
  • 2004
  • Ingår i: Molecular Physics. - : Informa UK Limited. - 1362-3028 .- 0026-8976. ; 102:14-15, s. 1583-1595
  • Tidskriftsartikel (refereegranskat)abstract
    • The gas-phase high-resolution infrared spectrum of isothiazole in the range 600-1500 cm(-1) has been recorded, and revised band centres obtained for a number of vibrations. An analysis of the nu(11)(A') band at 818 cm(-1) and the nu(16)(A") band at 727cm(-1) has been performed, using the Watson Hamiltonian, A-reduction, IIIr representation. These were combined with previous microwave spectral data to provide combined analyses for rotational constants and quartic centrifugal distortion constants Delta(J), Delta(JK), Delta(K), delta(J) and delta(K). These extend the knowledge derived from previous microwave and IR spectral studies. The equilibrium structures and the derived harmonic frequencies were calculated by ab initio methods, using a variety of basis sets with MP2, MP4 and CCSD(T) methods, and a comparison of these with experimental data is discussed. At a pragmatic level, the closest correlation of the rotational constants with experiment is not obtained with the most sophisticated methodology. Similarly, the vibration frequencies and intensities also vary strongly with the procedure. In particular, we found that the cc-pVTZ + MP2 results probably provide the best numerical comparison with experimental IR data for this molecule.
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