(698i) Materials Behavior at Electrochemical Interfaces: Insights from Theory and Computation

Electrode/electrolyte interfaces are present in electrocatalysis, batteries, and in many biological systems. The evolution of the multiphase/multicomponent interfacial system has significant impact on the behavior of the overall process in which it is inserted (e.g., electrocatalyst, battery, biological membrane). In this talk we will focus on our theoretical/computational studies of interfaces for various battery chemistries Li anode/electrolyte; metal-oxide cathode/electrolyte with liquid and solid electrolytes. We will discuss ion and electron transport and development of interphases, and their role on the overall battery performance. For metal-oxide/electrolyte we will also compare the behavior to that found in similar interfaces found in electrocatalysis.