Water adsorption on the GaN (101-0) nonpolar surface

Journal of Physical Chemistry C

Volumn 113, Issue 9, 2009, Pages 3365-3368

  Shen, Xiao ^a,b   Allen, Philip B ^a   Hybertsen, Mark S ^b   Muckerman, James T ^b  

^a STONY BROOK UNIVERSITY   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES STUDIES; HYDROGEN BONDINGS; MEDIATED INTERACTIONS; NON-POLAR SURFACES; SUBMONOLAYER; SUBSTRATE STRAINS; WATER ADSORPTIONS; WATER DISSOCIATIONS; WATER-WATER INTERACTIONS; WURTZITE GAN; ZNO;

ADSORPTION; AGGLOMERATION; DISSOCIATION; ENERGY BARRIERS; GALLIUM ALLOYS; GALLIUM NITRIDE; HYDROGEN; HYDROGEN BONDS; SEMICONDUCTING GALLIUM; ZINC OXIDE; ZINC SULFIDE;

DEWATERING;

EID: 65249114719     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp809499d     Document Type: Article

References (36)

1. Maeda, K.; Teramura, K.; Lu, D.; Takata, T.; Saito, N.; Inoue, Y.; Domen, K. Nature 2006, 440, 295.
2. Jensen, L. L.; Muckerman, J. T.; Newton, M. D. J. Phys. Chem. C 2008, 112, 3439.
3. Meyer, B.; Marx, D.; Dulub, O.; Diebold, U.; Kunat, M.; Langenberg, D.; Wöll, C. Angew. Chem., Int. Ed. 2004, 43, 6641.
4. Dulub, O.; Meyer, B.; Diebold, U. Phys. Rev. Lett. 2005, 95, 136101.
5. Meyer, B.; Rabaa, H.; Marx, D. Phys. Chem. Chem. Phys. 2006, 8, 1513.
6. Yan, Y.; Al-Jassim, M. M. Phys. Rev. B 2005, 72, 235406.
7. Bermudez, V. M.; Long, J. P. Surf. Sci. 2000, 450, 98.
8. Meyer, B.; Marx, D. Phys. Rev. B 2003, 67, 035403.
9. Northrup, J. E.; Neugebauer, J. Phys. Rev. B 1996, 53, R10477.
10. Qian, W.; Skowronski, M.; Doverspike, K.; Rowland, L. B.; Gaskill, D. K. J. Cryst. Growth 1995, 151, 396.
11. Qian, W.; Rohrer, G.; Skowronski, M.; Doverspike, K.; Rowland, L. B.; Gaskill, D. K. Appl. Phys. Lett. 1995, 67, 2284.
12. Vennegues, P.; Beaumont, B.; Vaille, M.; Gibart,
13. P. J. Cryst. Growth 1997, 173, 249.
14. Vennegues, P.; Beaumont, B.; Vaille, M.; Gibart, P. Appl. Phys. Lett. 1997, 70, 2434.
15. Cherns, D.; Young, W. T.; Steeds, J. W.; Ponce, F. A.; Nakamura, S. J. Cryst. Growth 1997, 178, 201.
16. Baroni, S.; Dal Corso, A.; de Gironcoli, S.; Giannozzi, P. Plane-Wave Self-Consistent Field; http://www.quantum-espresso.org.
17. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
18. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
19. Schulz, H.; Thiemann, K. H. Solid State Commun. 1977, 23,815.
20. Leszczynski, M.; et al. Appl. Phys. Lett. 1996, 69, 73.
21. Harrison, W. A. Electronic Structure and the Properties of Solids; Dover Publications: New York, 1989.
22. Perlin, P.; Jauberthie-Carillon, C.; Itie, J. P.; Miguel, A. S.; Grzecory, I.; Polian, A. High Press. Res. 1991, 7, 96.
23. Perlin, P.; Jauberthie-Carillon, C.; Itie, J. P.; Miguel, A. S.; Grzecory, I.; Polian, A. Phys. Rev. B 1992, 45, 83.
24. Xia, H.; Xia, Q.; Ruoff, A. L. Phys. Rev. B 1993, 47, 12925.
25. Ueno, M.; Yoshida, M.; Onodera, A.; Shimomura, O.; Takemura, K. Phys. Rev. B 1994, 49, 14.
26. Powell, R. C.; Lee, N.-E.; Kim, Y.-W.; Greene, J. E. J. Appl. Phys. 1993, 73, 189.
27. Benedict, W. S.; Gailar, N.; Plyler, E. K. J. Chem. Phys. 1956, 24, 1139.
28. Clough, S. A.; Beers, Y.; Klein, G. P.; Rothman, L. S. J. Chem. Phys. 1973, 59, 2254.
29. Stampfl, C.; Van de Walle, C. G. Phys. Rev. B 1999, 59, 5521.
30. Zoroddu, A.; Bernardini, F.; Ruggerone, P.; Fiorentini, V. Phys. Rev. B 2001, 64, 045208.
31. Sprik, M.; Hutter, J.; Parrinello, M. J. Chem. Phys. 1996, 105, 1142.
32. Schwegler, E.; Grossman, J. C.; Gygi, F.; Galli, G. J. Chem. Phys. 2004, 121, 5400.
33. Fernandez-Serra, M. V.; Artacho, E. J. Chem. Phys. 2004, 121, 11136.
34. Henkelman, G.; Jonsson, H. J. Chem. Phys. 2000, 113, 9978.
35. Henkelman, G.; Uberuaga, B. P.; Jonsson, H. J. Chem. Phys. 2000, 113, 9901.
36. Kokalj, A. Comput. Mater. Sci. 2003, 28, 155.