(621ao) Predictive Scaling Relations for Small Molecule Conversions Via Modified Graphene Electrocatalyst Supports

Authors: 
Rankin, R. B., Villanova University

An initial investigation to develop universal scaling relationships (correlations) between adsorption energies and activation barriers for small molecule chemistry on modified graphene-- metal catalyst nanoparticles is presented. In this work we focus on understanding the Oxygen Reduction Reaction (ORR) through the use of novel  (modified) graphene supported sub-nanometer transition metal catalysts. Scaling relations can be identified and are shown to lead to predictive Volcano Plots for catalyst design. Results are compared to state of the art heterogeneous platinum based catalysts for the ORR.