Dynamics of H2O Dissociation on Metal Surfaces
Ashwani K. Tiwari
Department of Chemical Sciences,
Indian Institute of Science Education and Research Kolkata
Dissociation of H2O on a metal surface is rate-limiting step in many industrially important reactions. In a few recent experiments, it has been observed that dissociation of H2O on a metal surface is mode-selective. In other words, this reaction is not statistical in nature and therefore, one cannot use transition state-based theories to get insights of this reaction. Our quantum dynamical calculations show that mode-mode coupling along the reaction path is the key factor in deciding the quantum of mode-selectivity in this reaction.
Faculty Host: Prof. Arun Yethiraj