530798 Modeling Mechanisms of Nickel Oxide Lithiation Using First Principles Calculations and Classical Nucleation Theory

Robert Warburton1, Handan Yildirim1, Guennadi Evmenenko2, Michael Bedzyk2, Maria K. Y. Chan3, Paul Fenter4, Tim Fister4 and Jeffrey Greeley1, (1)Charles D. Davidson School of Chemical Engineering, Purdue University, West Lafayette, IN, (2)Department of Materials Science and Engineering, Northwestern University, Evanston, IL, (3)Center for Nanoscale Materials, Argonne National Laboratory, Argonne, IL, (4)Chemical Sciences and Engineering Divison, Argonne National Laboratory, Argonne, IL