Carbon nitride: Ab initio investigation of carbon-rich phases

Hart, J.N., Claeyssens, F., Allan, N.L. and May, P.W. (2009) Carbon nitride: Ab initio investigation of carbon-rich phases. Physical Review B , 80 (17). Art No.174111. ISSN 1098-0121

Abstract

Metadata

Authors/Creators:
  • Hart, J.N.
  • Claeyssens, F.
  • Allan, N.L.
  • May, P.W.
Keywords: ab initio calculations; bonds (chemical); carbon compounds; catalysis; crystal structure; elastic moduli; electronic structure; photochemistry; potential energy surfaces; thermodynamics
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield)
Depositing User: Miss Anthea Tucker
Date Deposited: 07 Jan 2010 10:29
Last Modified: 07 Jan 2010 10:29
Published Version: http://dx.doi.org/10.1103/PhysRevB.80.174111
Status: Published
Publisher: American Physical Society
Identification Number: 10.1103/PhysRevB.80.174111

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