First-principles studies of Au(100)-hex reconstruction in an electrochemical environment

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 12, 2005, Pages

  Feng, Y J ^a   Bohnen, K P ^b   Chan, C T ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744441187     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.125401     Document Type: Article

References (56)

1. D. G. Fedak and N. A. Gjostein, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.16.171 16, 171 (1966).
2. K. H. Rieder, T. Engel, R. H. Swendsen, and M. Manninen, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(83)90415-6 127, 223 (1983).
3. D. G. Fedak and N. A. Gjostein, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(67)90074-X 8, 77 (1967).
4. J. F. Wendelken and D. M. Zehner, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(78)90325-4 71, 178 (1978).
5. M. A. Van Hove, R. J. Koestner, P. C. Stair, J. P. Biberian, L. L. Kesmodel, I. Bartos, and G. A. Somorjai, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(81)90107-2 103, 189 (1981);
6. M. A. Van Hove, R. J. Koestner, P. C. Stair, J. P. Biberian, L. L. Kesmodel, I. Bartos, and G. A. Somorjai, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(81)90108-4 103, 218 (1981).
7. G. K. Binning, H. Rohrer, C. Gerber, and E. Stoll, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(84)90104-3 144, 321 (1984).
8. D. Tomanek and K. H. Bennemann, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(85)91076-3 163, 503 (1985).
9. F. Ercolessi, E. Tosatti, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.57.719 57, 719 (1986).
10. Brian W. Dodson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.35.880 35, 880 (1987).
11. Noboru Takeuchi, C. T. Chan, and K. M. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.14363 43, 14363 (1991).
12. D. M. Kolb and J. Schneider, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(85)90977-X 162, 764 (1985).
13. D. M. Kolb and J. Schneider, Electrochim. Acta ELCAAV 0013-4686 10.1016/0013-4686(86)80005-6 31, 929 (1986).
14. J. Schneider and D. M. Kolb, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(88)90455-4 193, 579 (1988).
15. D. M. Kolb, Prog. Surf. Sci. PSSFBP 0079-6816 10.1016/0079-6816(96)00002- 0 51, 109 (1996).
16. Philip N. Ross and Alfred T. D'Agostino, Electrochim. Acta ELCAAV 0013-4686 37, 615 (1992).
17. K. P. Bohnen and D. M. Kolb, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00232-5 407, L629 (1998).
18. C. L. Fu and K. M. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.63.1617 63, 1617 (1989).
19. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993);
20. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
21. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
22. G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
23. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980);
24. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
25. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
27. A. Khein, D. J. Singh, and C. J. Umrigar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4105 51, 4105 (1995).
28. P. E. Blochl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
29. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
30. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
31. E. Eibler, H. Erschbaumer, C. Temnitschka, R. Podloucky, and A. J. Freeman, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(93)90693-E 280, 398 (1993).
32. C. Sànchez and E. Leiva, Electrochim. Acta ELCAAV 0013-4686 45, 691 (1999).
33. T. Hayashi, Y. Morikawa, and H. Nozoye, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1360245 114, 7615 (2001).
34. Y. Yourdshadyan and Andrew M. Rappe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1483072 117, 825 (2002).
35. C. Kittel, Introduction to Solid State Physics, 7th ed. (Wiley, New York, 1996).
36. W. R. Tyson and W. A. Miller, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(77)90442-3 62, 267 (1977).
37. G. V. Hansson and S. A. Flodström, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.18.1572 18, 1572 (1978).
38. H. C. Potter and J. M. Blakely, J. Vac. Sci. Technol. JVSTAL 0022-5355 10.1116/1.568637 12, 635 (1975).
39. D. H. Everett, Pure Appl. Chem. PACHAS 0033-4545 31, 577 (1972);
40. http://www.iupac.org/reports/2001/colloid_2001/manual_of_s_and_t/
41. W. Schmickler and E. Leiva, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(98)00133-8 453, 61 (1998).
42. Xiaoping Gao, Gregory J. Edens, Antoinette Hamelin, and Michael J. Weaver, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(93)90028-I 296, 333 (1993).
43. J. G. Che and C. T. Chan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.125411 67, 125411 (2003).
44. R. Monnier, J. P. Perdew, D. C. Langreth, and J. W. Wilkins, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.18.656 18, 656 (1978).
45. E. Wigner and J. Bardeen, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.48.84 48, 84 (1935).
46. T. C. Leung, C. L. Kao, W. S. Su, Y. J. Feng, and C. T. Chan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.195408 68, 195408 (2003).
47. W. Schmickler, Interfacial Electrochemistry (Oxford University Press, New York, 1996);
48. G. Gouy, J. Phys. Theor. Appl. JPTAAT 0368-3893 9, 457 (1910);
49. D. L. Chapman, Philos. Mag. PHMAA4 0031-8086 25, 475 (1913).
50. S. Trasatti, J. Electroanal. Chem. Interfacial Electrochem. JEIEBC 0022-0728 10.1016/0368-1874(71)80045-X 33, 351 (1971).
51. J. Lecoeur, J. Andro, and R. Parsons, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(82)90474-5 114, 320 (1982).
52. http://www.phys.ust.hk/pccluster
53. J. Wang, A. J. Davenport, H. S. Isaacs, and B. M. Ocko, Science SCIEAS 0036-8075 255, 1416 (1992);
54. B. M. Ocko, G. Helgesen, B. Schardt, J. Wang, and A. Hamelin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.3350 69, 3350 (1992);
55. J. Wang, B. M. Ocko, A. J. Davenport, and H. S. Isaacs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.10321 46, 10321 (1992);
56. K. Ataka, T. Yotsuyanagi, and M. Osawa, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp953636z 100, 10664 (1996).