Water adsorption and dissociation on BeO(0 0 1) and (1 0 0) surfaces

Surface Science

Volumn 601, Issue 6, 2007, Pages 1608-1614

  Gomez, Maria A ^a   Pratt, Lawrence R ^b   Kress, Joel D ^b   Asthagiri, D ^c  

^a MOUNT HOLYOKE COLLEGE   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c Johns Hopkins University   (United States)

Author keywords

Adsorption isotherms; Beryllium oxide; Chemisorption; Density functional calculations; Models of surface chemical reactions; Surface chemical reaction; Water

Indexed keywords

ADSORPTION ISOTHERMS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; SURFACE STRUCTURE; WATER;

SURFACE CHEMICAL REACTIONS; WATER DISSOCIATION; WULFF CONSTRUCTION;

BERYLLIA;

EID: 33847745400     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.01.033     Document Type: Article

References (43)

1. Stonehouse A.J. J. Vac. Sci. Technol. A 4 3 (1986) 1163
2. Vijayakumer V., Godwal B.K., Vohra Y.K., Sikka S.K., and Chidambaram R. J. Phys. F: Met. Phys. 14 (1984) L65
3. Ming L.C., and Manghnani M.H. J. Phys. F: Met. Phys. 14 (1984) L1
4. Adams R.O., and Hurd J.T. J. Less-Common Metals 18 (1969) 399
5. Hoover M.D., Castorina B.T., Finch G.L., and Rothenberg S.J. Am. Ind. Hyg. Assoc. J. 50 (1989) 550
6. Stefaniak A.B., Hoover M.D., Day G.A., Dickerson R.M., Peterson E.J., Kent M.S., Schuler C.R., Breysse P.N., and Scripsick R.C. J. Environ. Monitor. 6 (2004) 1
7. Sturgill-Koszycki S., Schlesinger P.H., Chakraborty P., Haddix P.L., Collins H.L., Fok A.K., Allen R.D., Gluck S.L., Heuser J., and Russel D.G. Science 263 (1994) 678
8. Sanders C.L., Cannon W.C., Powers G.J., Adee R.R., and Meier D.M. Arch. Environ. Health 30 (1975) 546
9. Haley P.J., Bice D.E., Muggenburg B.A., Hoover M.D., Hahn F.F., Harmsen A.G., Mewhinney J.A., and Finch G.L. Lab. Invest. 61 (1989) 219
10. Haley P.J., Pavia K.F., Swafford D.S., Davila D.R., Hoover M.D., and Finch G.L. Immunopharm. Immunot. 16 4 (1994) 627
11. Finch G.L., Hahn F.F., and Hoover M.D. Environ. Health Persp. 104 (1989) 973
12. Stefaniak A.B., Day G.A., Hoover M.D., Breysse P.N., and Scripsick R.C. Toxicol. In Vitro 20 (2006) 82
13. Day G.A., Hoover M.D., Stefaniak A.B., Dikerson R.M., Peterson E.J., Esmen M.A., and Scripsick R.C. Exp. Lung Res. 31 (2005) 341
14. Finch G.L., Verburg R.J., Mewhinney J.A., Eidson A.F., and Hoover M.D. Toxicol. Lett. 41 (1988) 97
15. Sutton M., and Burastero S.R. Chem. Res. Toxicol. 16 (2003) 1145
16. Morimoto T., and Nagao M. J. Phys. Chem. 78 11 (1974) 1116
17. Miyazaki T., Kuroda y., Morishige K., Kittaka S., Umemura J., Takenaka T., and Morimoto T. J. Coll. Interf. Sci. 106 1 (1985) 154
18. Chang K.J., and Cohen M.L. Solid State Comm. 50 6 (1984) 487
19. Fowler D.E., and Blakely J.M. Surf. Sci. 148 (1984) 283
20. G. Kresse, Thesis, Technische Universitat at Wien, 1993.
21. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
22. Kresse G., and Furthmuller J. Comput. Mater. Sci. 6 (1996) 15
23. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
24. Zhang Y., and Yang W. Phys. Rev. Lett. 80 4 (1998) 890
25. Blochl P.E. Phys. Rev. B 50 (1994) 17953
26. Kresse G., and Joubert J. Phys. Rev. B 59 (1999) 1758
27. Davidson E.R. Methods in computational molecular physics. In: Diercksen G.H.F., and Wilson S. (Eds). NATO Advanced Study Institute, Series C vol. 113 (1983), Plenum, New York 95
28. In: Moler C., and Shavitt I. (Eds). Report on Workshop Numerical Algorithms in Chemistry: Algebraic Methods (1978), Lawrence Berkeley Laboratories, University of California
29. Reckeweg O., Lind C., Simon A., and DiSalvo F.J. Zeitschrift fur Naturforschung Sect. B-A J. Chem. Sci. 58 2-3 (2003) 159
30. Jaffe J.E., and Zapol P. Surf. Sci. 381 (1997) L563
31. Pangali C., Rao M., and Berne B.J. Chem. Phys. Lett. 55 3 (1978) 413
32. Rossky P.J., Doll J.D., and Friedman H.L. J. Chem. Phys. 69 10 (1978) 4628
33. Duane S., Kennedy A.D., Pendleton B.J., and Roweth D. Phys. Lett. B 195 2 (1987) 216
34. Henkelman G., and Jonsson H. J. Chem. Phys. 113 (2000) 9978
35. Henkelman G., Uberuaga B.P., and Jonsson H. J. Chem. Phys. 113 (2000) 9901
36. Henkelman G., Arnaldsson A., and Jonsson H. Comput. Mater. Sci. 36 (2006) 354
37. Abramowski M., Grimes R.W., and Owens S. J. Nucl. Mater. 275 (1999) 12
38. Wulff G. Z. Kristallogr. 34 (1901) 449
39. Austerman B. J. Am. Cer. Soc. 46 (1963) 6
40. Austerman B. J. Nucl. Mater. 14 (1964) 225
41. Austerman B. J. Crystal Growth 42 (1977) 284
42. Finch G.L., Mewhinney J.A., Edison A.F., Hoover M.D., and Rothenberg S.J. J. Aerosol Sci. 19 (1989) 333
43. Furrer G., and Stumm W. Geochim. Cosmochim. Acta 50 (1986) 1847