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Author(s)
     Groves, M.N., Chan, A.S.W., Malardier-Jugroot, C., Jugroot, M.
Title
      Improving platinum catalyst binding energy to graphene through nitrogen doping
Publication Name
     Chemical Physics Letters
Publication Type
     Journal
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Other Publication Information
     
Publication Year
     2009
Abstract
      Platinum on carbon black is a common catalyst/support combination where modifying the support can increase the durability of the catalyst. Density functional theory is used to evaluate the binding energy between a single platinum atom and several nitrogen-doped carbon graphene structures. It was calculated that the addition of nitrogen to the support can double the binding energy. This increase in binding energy is proportional to the number and proximity of nitrogen atoms to the carbon–platinum bond and is a result of the nitrogen atoms locally destabilizing the delocalized double bond present in the pure carbon structure.
Keywords
     
Website
     http://www.elsevier .com/ locate/cplet t
Paper Status
     Published
DOI / Publication ID
     



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