Simulation of battery components and interfaces on the atomic scale: examples of what we can learn

In the lithium polymer advanced battery program, the stated target of 10(-3 ) (Omega cm)(-1) for polymer electrolytes at room temperatures is, to our k nowledge, not attained by any of the polymer electrolytes in current use in prototypes, without adding plasticizers [F. Gray, Solid Polymer Electrolyt es, VCH, New York, 1991, 108-111] or raising the temperature. In the progra m on which progress is reported here, we are trying to elucidate the mechan ism of ion transport in one of the prototype electrolytes, in the expectati on that a better understanding will reveal promising directions for the sol ution of this engineering problem. We are also beginning studies of the pol ymer-cathode interface. (C) 2000 Elsevier Science S.A. All rights reserved.