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      Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

      Author(s): 1 , 2 , 2 , 1
      Publication date Created:
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      Journal: The Journal of Chemical Physics
      Publisher: AIP Publishing

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
          Article 0 comments Cited 27934 times – based on 0 reviews     Review now
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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

            G Kresse, J. Furthmüller (1996)
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              Theoretical foundations of dynamical Monte Carlo simulations

              W. H. Weinberg, Kristen A Fichthorn (1991)
              Article 0 comments Cited 183 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Title: The Journal of Chemical Physics
                Abbreviated Title: The Journal of Chemical Physics
                Publisher: AIP Publishing
                ISSN (Print): 0021-9606
                ISSN (Electronic): 1089-7690
                Publication date Created: October 07 2014
                Publication date (Print): October 07 2014
                Volume: 141
                Issue: 13
                Page: 134108
                Affiliations
                [1 ]Department of Materials Science and Engineering, KAIST, 291 Daehak-ro, Yuseong-gu, Daejeon 305-701, South Korea
                [2 ]Department of Nuclear Science and Engineering and Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
                Article
                DOI: 10.1063/1.4896610
                SO-VID: 6356461b-7dc3-47f2-b784-15fde9636f9c
                Copyright © © 2014
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