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Dangling bonds

  1. Dec 17, 2008 #1
    hi all,

    I have read papers in which they specify the dangling bonds on the surfaces and tey saturate it with hydrogen forexample;

    1. should it be hydrogen atoms or ghost hydrogen?
    2. how to specify the dangling bonds?
    3. any suggestion for specifying the position of these hydrogens in simulating codes? should I use visualization tools? any suggestion for doing it manually?

  2. jcsd
  3. Dec 28, 2008 #2
    Hi Sara,
    Could you pls tell me the papers you have read...?
  4. Dec 28, 2008 #3
    look at http://arxiv.org/abs/0802.3975v2

    The surface of nanowires are saturated
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