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Chemically modified ribbon edge stimulated H2 dissociation: a first-principles computational study

Journal Article


Abstract


  • First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H 2 dissociative adsorption. The low barrier is competitive with many widely used metal or metal oxide catalysts. This suggests that suitably functionalized graphene architectures are promising metal-free alternatives for low-cost catalytic processes. © 2013 the Owner Societies.

Authors


  •   Liao, Ting (external author)
  •   Sun, Chenhua (external author)
  •   Sun, Ziqi
  •   Du, Aijun (external author)
  •   Smith, S. C (external author)

Publication Date


  • 2013

Citation


  • Liao, T., Sun, C., Sun, Z., Du, A. & Smith, S. (2013). Chemically modified ribbon edge stimulated H2 dissociation: a first-principles computational study. Physical Chemistry Chemical Physics, 15 (21), 8054-8057.

Scopus Eid


  • 2-s2.0-84877705278

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/692

Has Global Citation Frequency


Number Of Pages


  • 3

Start Page


  • 8054

End Page


  • 8057

Volume


  • 15

Issue


  • 21

Place Of Publication


  • United Kingdom

Abstract


  • First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H 2 dissociative adsorption. The low barrier is competitive with many widely used metal or metal oxide catalysts. This suggests that suitably functionalized graphene architectures are promising metal-free alternatives for low-cost catalytic processes. © 2013 the Owner Societies.

Authors


  •   Liao, Ting (external author)
  •   Sun, Chenhua (external author)
  •   Sun, Ziqi
  •   Du, Aijun (external author)
  •   Smith, S. C (external author)

Publication Date


  • 2013

Citation


  • Liao, T., Sun, C., Sun, Z., Du, A. & Smith, S. (2013). Chemically modified ribbon edge stimulated H2 dissociation: a first-principles computational study. Physical Chemistry Chemical Physics, 15 (21), 8054-8057.

Scopus Eid


  • 2-s2.0-84877705278

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/692

Has Global Citation Frequency


Number Of Pages


  • 3

Start Page


  • 8054

End Page


  • 8057

Volume


  • 15

Issue


  • 21

Place Of Publication


  • United Kingdom