Now showing items 1-2 of 2

  • Pike, Nicholas; Van Troeye, Benoit; Dewandre, Antoine; Petretto, Guido; Gonze, Xavier; Rignanese, Gian-Marco; Verstraete, Matthieu (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
    espite numerous studies of transition metal dichalcogenides, the diversity of their chemical bonding characteristics and charge transfer is not well understood. Based on density functional theory we investigate their static ...
  • Pike, Nicholas; Dewandre, Antoine; Van Troeye, Benoit; Gonze, Xavier; Verstraete, Matthieu (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
    Interest in the bulk transition metal dichalcogenides for their electronic, photovoltaic, and optical properties has grown and led to their use in many technological applications. We present a systematic investigation of ...