Water thin film-silica interaction on α-quartz (0001) surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 15, 2011, Pages

  Chen, Yun Wen ^a   Chu, Iek Heng ^a   Wang, Yan ^a   Cheng, Hai Ping ^a  

^a University of Florida   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80455149722     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.155444     Document Type: Article

References (50)

1. R. K. Iler, The Chemistry of Silica Solubility, Polymerization, Colloid and Surface Properties, and Biochemistry (Wiley, New York, 1979).
2. A. P. Legrand, The Surface Properties of Silicas (John Wiley, Chichester, New York, 1998).
3. J. Bradbury, Plos Biology 1544-9173 10.1371/journal.pbio.0020306 2, 1512 (2004). (Pubitemid 39532906)
4. E. N. Fung and E. S. Yeung, Anal. Chem. ANCHAM 0003-2700 10.1021/ac00109a002 67, 1913 (1995).
5. A. T. Woolley and R. A. Mathies, Anal. Chem. ANCHAM 0003-2700 10.1021/ac00116a010 67, 3676 (1995).
6. D. Schmalzing, A. Adourian, L. Koutny, L. Ziaugra, P. Matsudaira, and D. Ehrlich, Anal. Chem. ANCHAM 0003-2700 10.1021/ac971381a 70, 2303 (1998).
7. D. B. Asay and S. H. Kim, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp053042o 109, 16760 (2005). (Pubitemid 41367419)
8. A. Opitz, S. I.-U. Ahmed, J. A. Schaefer, and M. Scherge, Wear WEARCJ 0043-1648 10.1016/S0043-1648(03)00248-5 254, 924 (2003). (Pubitemid 36797033)
9. V. Ostroverkhov, G. A. Waychunas, and Y. R. Shen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.046102 94, 046102 (2005). (Pubitemid 40607238)
10. Y. R. Shen and V. Ostroverkhov, Chem. Rev. CHREAY 0009-2665 10.1021/cr040377d 106, 1140 (2006).
11. G. H. Findenegg, S. Jähnert, D. Akcakayiran, and A. Schreiber, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200800616 9, 2651 (2008).
12. X. X. Liu, Q. Wang, X. F. Huang, S. H. Yang, C. X. Li, X. J. Niu, Q. F. Shi, G. Sun, and K. Q. Lu, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp909108u 114, 4145 (2010).
13. R. Evans, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/2/ 46/001 2, 8989 (1990).
14. P. J. Feibelman, Phys Today 0031-9228 10.1063/1.3326987 63, 34 (2010).
15. P. J. Feibelman, N. C. Bartelt, S. Nie, and K. Thürmer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3488803 133, 154703 (2010).
16. S. Nie, P. J. Feibelman, N. C. Bartelt, and K. Thürmer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.026102 105, 026102 (2010).
17. A. Hodgson and S. Haq, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/j.surfrep.2009.07.001 64, 381 (2009).
18. M. H. Du, A. Kolchin, and H. P. Cheng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1614211 119, 6418 (2003).
19. Z. M. Du and N. H. de Leeuw, Dalton Trans. Iss. 1477-9226 10.1039/B516258K 22, 2623 (2006). (Pubitemid 43965585)
20. W. A. Adeagbo, N. L. Doltsinis, K. Klevakina, and J. Renner, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200700819 9, 994 (2008).
21. Z. M. Du and N. H. de Leeuw, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2004.02.001 554, 193 (2004).
22. G.-M. Rignanese, J.-C. Charlier, and X. Gonze, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b311842h 6, 1920 (2004).
23. M. Rovere, M. A. Ricci, D. Vellati, and F. Bruni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476424 108, 9859 (1998).
24. P. Gallo, M. A. Ricci, and M. Rovere, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1423662 116, 342 (2002). (Pubitemid 34061828)
25. E. B. Moore, E. de la Llave, K. Welke, D. A. Scherlis, and V. Molinero, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/B919724A 12, 4124 (2010).
26. J. J. Yang, S. Meng, L. F. Xu, and E. G. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.035413 71, 035413 (2005). (Pubitemid 40396465)
27. J. J. Yang and E. G. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.035406 73, 035406 (2006). (Pubitemid 43270614)
28. M. C. F. Wander and A. E. Clark, J. Phys. Chem. C 1932-7447 10.1021/jp803642c 112, 19986 (2008).
29. D. Argyris, D. R. Cole, and A. Striolo, J. Phys. Chem. C 1932-7447 10.1021/jp906150n 113, 19591 (2009).
30. R. Notman and T. R. Walsh, Langmuir LANGD5 0743-7463 10.1021/la803324x 25, 1638 (2009).
31. Y. W. Chen and H. P. Cheng, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3504710 97, 161909 (2010).
32. G. Kresse and J. Furthmüller, VASP, [http://cms.mpi.univie.ac.at/ marsweb/] (last accessed on 13 Oct' 2011) (Institut für Materialphysik, Universität Wien, Vienna, Austria, 1999).
33. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
34. Y. Wang and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.8911 43, 8911 (1991).
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
36. N. H. de Leeuw, F. M. Higgins, and S. C. Parker, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp983239z 103, 1270 (1999).
37. G.-M. Rignanese, A. De Vita, J.-C. Charlier, X. Gonze, and R. Car, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.13250 61, 13250 (2000).
38. Y. W. Chen, C. Cao, and H. P. Cheng, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3021398 93, 181911 (2008).
39. V. V. Murashov, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp0402075 109, 4144 (2005). (Pubitemid 40402296)
40. Y. W. Chen and H. P. Cheng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3562365 134, 114703 (2011).
41. R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, New York, 1994).
42. G. Henkelman, A. Arnaldsson, and H. Jónsson, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2005.04.010 36, 354 (2006). (Pubitemid 44382438)
43. D. Pan, L. M. Liu, G. A. Tribello, B. Slater, A. Michaelides, and E. Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.155703 101, 155703 (2008).
44. P. J. Feibelman, Science SCIEAS 0036-8075 10.1126/science.1065483 295, 99 (2002). (Pubitemid 34052352)
45. W. Smith and T. R. Forester, J. Mol. Graphics JMGRDV 0263-7855 10.1016/S0263-7855(96)00043-4 14, 136 (1996). (Pubitemid 26372493)
46. R. T. Cygan, J. J. Liang, and A. G. Kalinichev, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp0363287 108, 1255 (2004).
47. J. Carrasco, B. Santra, J. Klimes, and A. Michaelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.026101 106, 026101 (2011).
48. PWSCF in Quantum Espresso Package, [http://www.quantum-espresso.org/] (last accessed on 13 Oct' 2011).
49. S. Grimme, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20495 27, 1787 (2006). (Pubitemid 44672561)
50. V. Barone, M. Casarin, D. Forrer, M. Pavone, M. Sambi, and A. Vittadini, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.21112 30, 934 (2009).