Now showing items 1-2 of 2

    • Band gap modulation in polythiophene and polypyrrole-based systems 

      Kaloni, Thaneshwor P.; Schreckenbach, Georg; Freund, Michael S. (2016-11-09)
      In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest ...
    • Materials properties of out-of-plane heterostructures of MoS₂-WSe₂ and WS₂-MoSe₂ 

      Amin, Bin; Kaloni, Thaneshwor P.; Schreckenbach, Georg; Freund, Michael S. (2016-02-08)
      Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transition metal dichalcogenides, specifically ...