O-W-Fre-15 Metal-free Oxidative Dehydrogenation of Isobutane by Functionalized Carbon

Wednesday, June 5, 2013: 4:40 PM
French (Galt House Hotel)
Gopi Krishna Phani Dathar, Ye Xu, Yu-Tung Tsai, Viviane Schwartz, Adam Rondinone and Steven H. Overbury, Oak Ridge National Laboratory, USA.
Metal-free catalytic ODH of alkanes to olefins is attractive because of a potential green chemistry approach to chemical production. We use DFT to study ODH by the functionalities on model graphene structures to identify the underlying catalytic chemistry and the desirable moieties for catalytic activity. 

Extended Abstracts: