1. Department of Materials
Science and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801, United States
2. Department
of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, United States
3. Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
4. Computer Science & Mathematics Division and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States