Nature of hydrogen bonding in hydroxyl groups on a metal surface

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 7, 2012, Pages

  Hamada, Ikutaro ^a   Kumagai, Takashi ^b,d   Shiotari, Akitoshi ^b   Okuyama, Hiroshi ^b   Hatta, Shinichiro ^b,c   Aruga, Tetsuya ^b,c  

^a TOHOKU UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84865078188     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.075432     Document Type: Article

References (20)

1. A. Hodgson and S. Haq, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/j.surfrep.2009.07.001 64, 381 (2009).
2. J. Lee, D. C. Sorescu, K. D. Jordan, J. T. Yates, Jr., J. Phys. Chem. C 1932-7447 10.1021/jp807467x 112, 17672 (2008).
3. M. Forster, R. Raval, A. Hodgson, J. Carrasco, and A. Michaelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.046103 106, 046103 (2011).
4. L. Guillemot and K. Bobrov, J. Phys. Chem. C 1932-7447 10.1021/jp2062145 115, 22387 (2011).
5. H. Okuyama and I. Hamada, J. Phys. D: Appl. Phys. JPAPBE 0022-3727 10.1088/0022-3727/44/46/464004 44, 464004 (2011).
6. T. Kumagai, Nature Mater. 1476-1122 10.1038/nmat3176 11, 167 (2012).
7. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.86.075432 for the assembly process of OH clusters on the Cu(110) surface, detailed discussion of binding energy and interaction energy, and optimized geometries, binding energies, and interaction energies of OH clusters as a function of substrate metal.
8. D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
10. Y. Morikawa, H. Ishii, and K. Seki, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.041403 69, 041403 (R) (2004).
11. I. Hamada, M. Otani, O. Sugino, and Y. Morikawa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.165411 80, 165411 (2009).
12. M. Otani and O. Sugino, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.115407 73, 115407 (2006).
13. T. Kumagai, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.035423 79, 035423 (2009).
14. M. Forster, R. Raval, J. Carrasco, A. Michaelides, and A. Hodgson, Chem. Sci. 2041-6520 10.1039/c1sc00355k 2, 93 (2012).
15. Y. Ootsuka, T. Frederiksen, H. Ueba, and M. Paulsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.193403 84, 193403 (2011).
16. A. Nilsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1879752 122, 154505 (2005).
17. A. Michaelides and K. Morgenstern, Nature Mater. 1476-1122 10.1038/nmat1940 6, 597 (2007).
18. A. Botti, F. Bruni, S. Imberti, M. A. Ricci, and A. K. Soper, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1705572 120, 10154 (2004).
19. K. Andersson, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja073727x 130, 2793 (2008).
20. T. Ikeshoji, M. Otani, I. Hamada, and Y. Okamoto, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c1cp21969c 13, 20223 (2011).