WoS İndeksli Yayınlar Koleksiyonu

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/394

Browse

Filters

20151

Settings

Publisher: search.filters.publisher.Elsevier Science BvSubject: search.filters.subject.Molecular Dynamics

Search Results

Now showing 1 - 1 of 1
  • Article
    Citation - WoS: 7
    Citation - Scopus: 7
    Atomic Structure of Amorphous CDO from First Principles Simulations
    (Elsevier Science Bv, 2015-03) Durandurdu, Murat
    Amorphous CdO (a-CdO) is obtained by cooling the liquid at a sufficiently fast cooling rate using first-principles simulations. The topology of the amorphous model is examined using a variety of analyzing techniques. The local structural arrangement of a-CdO is found to be partially similar to that of crystalline phase. The model is chemically ordered but consists of a significant amount of coordination defects. a-CdO is predicted to be a semiconductor with a band gap energy less than the crystalline state. It is likely that a-CdO might serve as a novel electronic material. (C) 2015 Elsevier B.V. All rights reserved.