Thermodynamics of stable and metastable Cu-O-H compounds

Solid State Phenomena

Volumn 172-174, Issue , 2011, Pages 973-978

  Korzhavyi, Pavel ^a   Soroka, Inna ^b   Boman, Mats ^b   Johansson, B̈rje ^a,c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UPPSALA UNIVERSITY   (Sweden)

^c Materials Theory   (Sweden)

Author keywords

Copper hydride; Copper hydroxide; Structural properties; Thermodynamic properties

Indexed keywords

COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; HYDRIDES; METASTABLE PHASES; PERTURBATION TECHNIQUES; PHASE TRANSITIONS; PHONONS; STRUCTURAL PROPERTIES; THERMODYNAMICS;

AMBIENT CONDITIONS; COPPER HYDRIDES; COPPER HYDROXIDE; DENSITY FUNCTIONAL PERTURBATION THEORY; ELECTRONIC SPECTRUM; EXPERIMENTAL DATA; EXPERIMENTAL STUDIES; METASTABLE PHASE; PHONON SPECTRUM; STRUCTURE AND PHYSICAL PROPERTIES;

COPPER;

EID: 79960929955     PISSN: 10120394     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/SSP.172-174.973     Document Type: Conference Paper

References (24)

1. B. Predel, in: Phase Equilibria, Crystallographic and Thermodynamic Data of Binary Alloys Cr-Cs. .. Cu-Zr, edited by O. Madelung, volume 5d of Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology, New Series, Group IV: Macroscopic Properties of Matter, Springer-Verlag Berlin Heidelberg (1994) pp.164-166.
2. A. Wurtz: Compt. Rend. Vol. 18 (1844), p. 702.
3. J. A. Goedkoop and A.F. Andersen: Acta Cryst. Vol. 8 (1955), p. 118.
4. R. Burtovyy, E. Utzig, and M. Tkacz: Thermochimica Acta Vol. 363 (2000), p. 157.
5. R. Burtovyy, D. Włosewicz, A. Czopnik, and M. Tkacz: Thermochimica Acta Vol. 400 (2003), p. 121-129.
6. N. P. Fitzsimons, W. Jones, and P. J. Herley: Catalysis Letters Vol. 15 (1992), p. 83-94.
7. H. J. Smithson, D. Morgan, A. Van der Ven, C. Marianetti, A. Pedith and G. Ceder: Mat. Res. Soc. Symp. Proc. Vol. 730 (MRS, Warrendale, PA, USA, 2002), p. V2.2.1.
8. H. J. Smithson, C. Marianetti, D. Morgan, A. Van der Ven, A. Pedith and G. Ceder: Rhys. Rev. B Vol. 66 (2002), art. no. 144107.
9. I. Puigdomenech and C. Taxen: Thermodynamic data for copper: Implications for the corrosion of copper under repository conditions, Technical Report TR-00-13, Swedish. Nucl. Fuel Waste Manag. Co., Stockholm (2000).
10. F. Fischer: Z. Elektrochem. (Germany) Vol. 9 (1903), p. 507.
11. D. Miller: J. Phys. Chem. Vol. 13 (1909), p. 256.
12. H. W. Gillett: J. Phys. Chem. Vol. 13 (1909), p. 332.
13. K. J. Cheng: Anal. Chem. Vol. 27(7) (1955), p.1165.
14. E. Protopopoff and P. Markus: Electrochim. Acta Vol. 51 (2005), p. 408.
15. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Gianozzi: Rev. Mod. Phys. Vol. 73 (2001), p. 515.
16. D. Vanderbilt: Phys. Rev. B Vol. 41 (1990), p. 7892.
17. J. P. Perdew, K. Burke, and M. Ernzerhof: Phys. Rev. Lett. Vol. 77 (1996), p. 3865.
18. Giannozzi P, Baroni S, Bonini N, et al.: J. Phys.: Cond. Matter Vol. 21 (2009), art. no. 395502; information on http://www.quantum-espresso.org.
19. P.A. Korzhavyi and B. Johansson: Thermodynamic properties of copper compounds with oxygen and hydrogen from first principles, Technical Report TR-10-30, Swedish. Nucl. Fuel Waste Manag. Co., Stockholm, (2010).
20. W. Schafer and A. Kirfel: Appl. Phys. A Vol. 74 (2002), p. S1010.
21. R. Mittal, S. L. Chaplot, S. K. Mishra, and P. P. Bose: Phys. Rev. B Vol. 75 (2007), art. no. 174303.
22. M. M. Beg and S. M. Shapiro: Phys. Rev. B Vol. 13 (1976), p. 1728.
23. P. Y. Yu and Y. R. Shen: Phys. Rev. B Vol. 12 (1975), p. 1377.
24. L. O. Werme and P. A. Korzhavyi: Catalysis Letters Vol. 135 (2010), p. 165.