Jump to main content
Jump to site search

Issue 21, 2013
Previous Article Next Article

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

Author affiliations

Abstract

First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H2 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.

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

Back to tab navigation

Supplementary files

Publication details

The article was received on 13 Feb 2013, accepted on 12 Apr 2013 and first published on 12 Apr 2013


Article type: Communication
DOI: 10.1039/C3CP50654A
Citation: Phys. Chem. Chem. Phys., 2013,15, 8054-8057
  •   Request permissions

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

    T. Liao, C. Sun, Z. Sun, A. Du and S. Smith, Phys. Chem. Chem. Phys., 2013, 15, 8054
    DOI: 10.1039/C3CP50654A

Search articles by author

Spotlight

Advertisements