Chemically modified ribbon edge stimulated H2 dissociation: A first-principles computational study
Liao, Ting, Sun, Chenghua, Sun, Ziqi, Du, Aijun, & Smith, Sean (2013) Chemically modified ribbon edge stimulated H2 dissociation: A first-principles computational study. Physical Chemistry Chemical Physics, 15(21), pp. 8054-8057.
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.
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|Item Type:||Journal Article|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Deposited On:||16 Jun 2013 23:39|
|Last Modified:||08 Apr 2016 04:00|
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