Pressure Induced Bonding Changes in Carbon Dioxide [electronic resource] : Six Fold Coordinated CO2
- Washington, D.C. : United States. Dept. of Energy, 2008.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- PDF-file: 4 pages; size: 0.2 Mbytes
- Additional Creators:
- Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- In this LDRD, we examined in detail the pressure-induced bonding and local coordination changes leading to the molecular → associated → extended-solid transitions in carbon dioxide (CO₂). We studied the progressive delocalization of electrons from the C=O molecular double bond at high pressures and temperatures, and determined the phase stability and physical properties of a new extended-solid CO₂ phase (VI). We find that the new CO₂ phase VI is based on a network of six-fold coordinated (octahedral) CO₆ structures similar to the ultra-hard SiO₂ phase stishovite.
- Report Numbers:
- E 1.99:llnl-tr-401464
- Other Subject(s):
- Published through SciTech Connect.
Evans, W J; Yoo, C; Iota, V; Klepeis, J P; Jenei, Z.
- Funding Information:
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