The Search for New High-Energy-Density Materials
VIRGINIA COMMONWEALTH UNIV RICHMOND
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The objectives of this DTRA project were to design, by using first-principles density functional theory, new superhalogens capable of involving inner core electrons in chemical bonding, validate the theoretical predictions by carrying out photoelectron spectroscopy experiments, and use thus validated theory to guide experiments in focused discovery of new high energy density materials. Superhalogens belong to a class of highly electronegative species composed of a metal atom at the core surrounded by halogen or oxygen atoms and have electron affinities that are substantially larger than those of the halogen atoms.
- Physical Chemistry
- Miscellaneous Materials
- Atomic and Molecular Physics and Spectroscopy
- Nuclear Physics and Elementary Particle Physics