3880 First-Principles Calculations for Energy Storage Applications

Sunday, February 20, 2011: 2:00 PM
206 (Washington Convention Center )
Kristin Persson , Lawrence Berkeley National Laboratory, Berkeley, CA
This speaker will provide a computational perspective on lithium ion battery electrodes and storage materials. First principles calculations are used to understand the affect of chemical substitutions on material stability and lithium migration, and Monte Carlo simulations show how lithium diffuses in electrodes. Additional insight on alkaline batteries and fuel cells will be presented.