Auflistung nach Schlagwort "First-principles calculation"

Auflistung nach Schlagwort "First-principles calculation"

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  • Anomalous molecular orbital variation upon adsorption on a wide band gap insulator 
    Chen, W.; Tegenkamp, Christoph; Pfnür, Herbert; Bredow, T. (College Park, MD : American Institute of Physics, 2010)
    It is commonly believed that organic molecules are physisorbed on the ideal nonpolar surfaces of wide band gap insulators with limited variation in the electronic properties of the adsorbate molecule. On the basis of first ...
  • Assessing the Device-performance Impacts of Structural Defects with TCAD Modeling 
    Needleman, David Berney; Wagner, Hannes; Altermatt, Pietro P.; Buonassisi, Tonio (Amsterdam : Elsevier, 2015)
    Advanced solar cell architectures like passivated emitter and rear (PERC) and heterojunction with intrinsic thin layer (HIT) are increasingly sensitive to bulk recombination. Present device models consider homogeneous bulk ...