O-Mo-301-1 Sites and Mechanisms for Methane Activation on MgO Surfaces – Doped and Undoped

Monday, June 15, 2015: 11:20 AM
301-303 (Lawrence Convention Center)
Joachim Sauer, Matthias Baldofski and Karolina Kwapien, Humboldt-Universität zu Berlin, Germany.

Keynote

We report quantum chemical calculations for the energy barriers of the rate-determining step on of Li-doped MgO, and we examine how methane binds on morphological defects like steps and corners of pure MgO. We suggest a new mechanism for methane activation on oxide surfaces in the presence of oxygen.

Extended Abstracts: