Cyclic cluster study on the formation of brucite from periclase and water

Journal of Physical Chemistry C

Volumn 111, Issue 35, 2007, Pages 13103-13108

  Jug, Karl ^a   Heidberg, Bettina ^a   Bredow, Thomas ^a,b  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIC VOLTAMMETRY; EPITAXIAL GROWTH; HYDROXYLATION; MOLECULAR MODELING; POLYMERS; WATER;

BRUCITE; BRUCITE NUCLEI; MOLECULARLY ADSORBED WATER MOLECULES; WATER MOLECULES;

QUANTUM CHEMISTRY;

EID: 34648828441     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp072889c     Document Type: Article

References (32)

1. Hewlett, P. C., Ed. LEA's Chemistry of Cement and Concrete, 4th Ed.; Arnold: London, 1998.
2. Giovanoli, R.; Feitknecht, W.; Fahrer, W. J. Microsc. 1968, 7, 177.
3. Wogelius, R. A.; Refson, K.; Donald, F. G.; Grimme, G. W.; Goff, J. P. Geochim. Cosmochim. Acta 1995, 59, 1875.
4. van Aken, P. A.; Langenhost, F. Eur. J. Mineral. 2001, 13, 329.
5. Lee, J. H.; Eun, J. H.; Kim, S. G.; Park, S. Y.; Lee, M. J.; Kim, H. J. J. Mater. Res. 2003, 18, 2895.
6. Jug, K.; Heidberg, B.; Bredow, T. Surf. Sci. 2007, 601, 1529.
7. Jacob, K. H. Dissertation, Universität Siegen, Siegen, Germany, 1992.
8. Knözinger, E.; Jacob, K.-H.; Singh, S.; Hofmann, P. Surf. Sci. 1993, 290, 388.
9. Coustet, V.; Jupille, J. Nouvo Cimento 1997, 19D, 1657.
10. Abriou, D.; Jupille, J. Surf. Sci. 1999, 430, L527.
11. Tikhomirov, V. A.; Geudtner, G.; Jug, K. J. Mol. Struct. (Theochem) 1999, 458, 161.
12. Giordano, L.; Goniakowski, J.; Suzanne, J. Phys. Rev. Lett. 1998, 81, 1271.
13. Cho, J.-P.; Park, J. M.; Kim, K. S. Phys. Rev. B 2000, 62, 9981.
14. Odelius, M. Phys. Rev. Lett. 1999, 82, 3919.
15. Giordano, L.; Goniakowski, J.; Suzanne, J. Phys. Rev. B 2000, 62, 15406.
16. Delle Site, L.; Alavi, A.; Lynden-Bell, R. M. J. Chem. Phys. 2000, 113, 3344.
17. Lynden-Bell, R. M.; Delle Site, L.; Alavi, A. Surf. Sci. 2002, 496, L1.
18. Minot, C. Surf. Sci. 2004, 562, 237.
19. Tielens, F.; Minot, C. Surf. Sci. 2006, 600, 357.
20. Jug, K.; Heidberg, B.; Bredow, T. J. Phys. Chem. C 2007, 111, 6846.
21. Simpson, D. J.; Bredow, T.; Smart, R. St. C.; Gerson, A. R. Surf. Sci. 2002, 516, 134.
22. Heidberg, B., Dissertation, Universität Hannover, Hannover, Germany, 2006.
23. Raugei, S.; Silvestrelli, P. L.; Parrinello, M. Phys. Rev. Lett. 1999, 83, 2222.
24. Churakov, S. V.; Iannuzzi, M.; Parrinello, M. J. Phys. Chem. B 2004, 108, 11567.
25. Pascale, F.; Tosoni, S.; Zicorich-Wilson, C.; Ugliengo, P.; Orlando, R.; Dovesi, R. Chem. Phys. Lett. 2004, 396, 308.
26. Tosoni, S.; Pascale, F.; Ugliengo, P.; Orlando, R.; Saunders, V. R.; Dovesi, R. Mol. Phys. 2005, 103, 2549.
27. Ahlswede, B.; Jug, K. J. Comput. Chem. 1999, 20, 563.
28. Ahlswede, B.; Jug, K. J. Comput. Chem. 1999, 20, 572.
29. Jug, K.; Geudtner, G. J. Comput. Chem. 1993, 14, 639.
30. Bredow, T.; Geudtner, G.; Jug, K. J. Comput. Chem. 2001, 22, 89.
31. Janetzko, F.; Bredow, T.; Jug, K. J. Chem. Phys. 2002, 116, 8994.
32. Feitknecht, W.; Braun, H. Helv. Chim. Acta 1967, 3, 2040.