Accommodation of excess oxygen in group II monoxides

Journal of the American Ceramic Society

Volumn 96, Issue 1, 2013, Pages 308-311

  Middleburgh, Simon C ^a,b   Lagerlof, Karl Peter D ^c   Grimes, Robin W ^b  

^a AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c Case Western Reserve University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC-SCALE SIMULATIONS; CATION RADII; DEFECT VOLUME; EXCESS OXYGEN; EXPERIMENTAL OBSERVATION; MGO; ORIENTATION CHANGES; OXYGEN DEFECT; OXYGEN SITE; OXYGEN UPTAKE; PEROXIDE IONS; SINGLE OXYGEN; TEST DATA; VACANCY FORMATION ENERGIES;

DEFECTS; OXIDATION; POSITIVE IONS;

OXYGEN;

EID: 84872101885     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2012.05452.x     Document Type: Article

References (27)

1. Y.-M. Chiang, D. P. Birnie, and, W. D. Kingery, Physical Ceramics: Principles for Ceramic Science and Engineering. Wiley and Sons, Hoboken, 1997.
2. G. H. Kinchin, and, R. S. Pease, " The Displacement of Atoms in Solids by Radiation," Rep. Prog. Phys., 18 [ 1 ] 1-51 (1955).
3. 2 Ceramics for Use in LWR Inert Matrix Fuel," J. Nucl. Mater., 342 [ 1-3 ] 48-62 (2005).
4. O. Bermudez, M. G. Boltong, F. C. M. Driessens, and, J. A. Planell, " Development of Some Calcium Phosphate Cements From Combinations of a-TCP, MCPM and CaO," J. Mat. Sci. Mat. Med., 5 [ 3 ] 160-3 (1994).
5. B. Tsuchiya, S. Nagata, K. Saito, and, T. Shikama, " Radiation Induced Phenomena Related to Electrical Properties of Hydrogen-Doped Strontium-Cerium-Ytterbium Oxides Under Reactor Irradiation," Nucl. Instrum. Methods Phys. Res., Sect. B, 268 [ 19 ] 3076-9 (2010).
6. L. Elizabeth Grey, " Pulsed Emission from the BaO SrO CaO System," Nature, 167, 522 (1951).
7. 2- at (110), (210) and (001) Surfaces of MgO, CaO and SrO Periodic Ab Initio Calculations," Solid State Commun., 124, 67-72 (2002).
8. M. Königstein, and, C. R. A. Catlow, " Ab-Initio Quantum Mechanical Study of the Structure and Stability of the Alkaline Earth Metal Oxides and Peroxides," J. Solid State Chem., 140 [ 1 ] 103-15 (1998).
9. M. Tribelhorn, " Thermal Decomposition of Barium and Strontium Peroxides," Thermochim. Acta, 255, 143-54 (1995).
10. 2," J. Alloy. Compd., 327 [ 1-2 ] 167-77 (2001).
11. J. Khodaveisi, H. Banejad, A. Afkhami, E. Olyaie, S. Lashgari, and, R. Dashti, " Synthesis of Calcium Peroxide Nanoparticles as an Innovative Reagent for In Situ Chemical Oxidation," J. Hazard. Mater., 192 [ 3 ] 1437-40 (2011).
12. H. A. Wriedt, " The Mg-O (Magnesium-Oxygen) System," Bull. Alloy Phase Diagram, 8, 227-33 (1987).
13. 2 Over a Neutral Gold Trimer: A DFT Study," J. Catal., 225 [ 1 ] 69-77 (2004).
14. J. Mulroue, and, D. M. Duffy, " An Ab-Initio Study of the Effect of Charge Localization on Oxygen Defect Formation and Migration Energies in Magnesium Oxide," Proc. R. Soc. A: Math. Phys. Eng. Sci., 467 [ 2131 ] 2054-65 (2011).
15. 2 on the MgO (001) Surface with Vacancies: Embedded Cluster Model Study," J. Phys. Chem. B, 105 [ 2 ] 497-505 (2001).
16. 2 on the CaO and SrO (100) Surfaces: A First-Principles Study," Appl. Surf. Sci., 257 [ 13 ] 5499-502 (2011).
17. R. Amorim, M. Verissimoalves, and, J. Rino, " Energetics of Phase Transitions in BaO Through DFT Calculations With Norm-Conserving Pseudopotentials: LDA vs. GGA Results," Comput. Mater. Sci., 37 [ 3 ] 349-54 (2006).
18. G. Kresse, and, J. Hafner, " Ab Initio Molecular Dynamics for Liquid Metals," Phys. Rev. B, 47, 558-61 (1993).
19. A. de La Croix, R. B. English, M. E. Brown, and, L. Glasser, " Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes. Part 1: Alkaline Earth Carbonates," J. Solid State Chem., 137, 332-45 (1998).
20. A. de La Croix, R. B. English, M. E. Brown, and, L. Glasser, " Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes. Part 2: Alkaline Earth Peroxides," J. Solid State Chem., 137, 346-52 (1998).
21. A. Kjekshus, and, T. Rakke, " Preparations and Properties of Magnesium, Copper, Zinc and Cadmium Dichalcogenides," Acta Chem. Scand. A, 33, 617-20 (1979).
22. S. C. Middleburgh, and, R. W. Grimes, " Defects and Transport Processes in Beryllium," Acta Mater., 59 [ 18 ] 7095-103 (2011).
23. Y. Itikawa, A. Tchimura, K. Onda, K. Sakimoto, K. Takayanagi, Y. Hatano, M. Hayashim, H. Nishimura, and, S. Tsurubuchi, " Cross Sections for Collisions of Electrons and Photons with Oxygen Molecules," J. Chem. Ref. Data, 18, 23 (1989).
24. 2," J. Raman Spectrosc., 33, 675-76 (2002).
25. R. C. Taylor, " Raman Spectra of Hydrogen Peroxide in Condensed Phases. I. The Spectra of the Pure Liquid and Its Aqueous Solutions," J. Raman Spectrosc., 24, 41-4 (1956).
26. M. W. Chase, J. L. Curnutt, A. T. Hu, H. Prophet, A. N. Syverud, and, L. C. Walker, " JANF Thermochemical Tables, 1974 Supplement," J. Chem. Ref. Data, 3, 311-480 (1974).
27. 2," J. Alloy. Compd., 327, 167-77 (2001).