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Volumn 68, Issue 24, 2003, Pages 2454161-24541618

Reconstruction of charged surfaces: General trends and a case study of Pt(100) and Au(110)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; METAL; PLATINUM;

EID: 1042265103     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (120)

References (73)
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    • note
    • 0 is linked to the equilibrium lattice constant of the bulk only, and no additional elastic deformation is permitted.
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    • The fact that g is the relevant quantity to compare different surfaces in the constant-charge mode was initially recognized by Parsons [R. Parsons, Proc. R. Soc. London, Ser. A 261, 79 (1961)]. In electrochemical studies g is sometimes referred to as the Parsons function (Ref. 17).
    • (1961) Proc. R. Soc. London, Ser. A , vol.261 , pp. 79
    • Parsons, R.1
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    • Generally, the Lippmann equation also contains the surface stress term (Ref. 29), for it is impossible experimentally to keep the surface strain constant while varying the surface charge (or potential bias), contrary to ab initio calculations. Despite neglecting any effect of elastic deformations (Ref. 26), our results are meaningful as in practice the stress term in the Lippmann equation is negligible [J. Lipkowski, W. Schmickler, D.M. Kolb, and R. Parsons, J. Electroanal. Chem. 452, 193 (1998); R. Guidelli, ibid. 453, 69 (1998)].
    • (1998) J. Electroanal. Chem. , vol.452 , pp. 193
    • Lipkowski, J.1    Schmickler, W.2    Kolb, D.M.3    Parsons, R.4
  • 30
    • 0032140143 scopus 로고    scopus 로고
    • Generally, the Lippmann equation also contains the surface stress term (Ref. 29), for it is impossible experimentally to keep the surface strain constant while varying the surface charge (or potential bias), contrary to ab initio calculations. Despite neglecting any effect of elastic deformations (Ref. 26), our results are meaningful as in practice the stress term in the Lippmann equation is negligible [J. Lipkowski, W. Schmickler, D.M. Kolb, and R. Parsons, J. Electroanal. Chem. 452, 193 (1998); R. Guidelli, ibid. 453, 69 (1998)].
    • (1998) J. Electroanal. Chem. , vol.453 , pp. 69
    • Guidelli, R.1
  • 40
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    • written by J. Hutter, A. Alavi, T. Deutsch, and the group of M. Parrinello at the MPI in Stuttgart and IBM research laboratory in Zürich
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    • CPMD, Version 3.3
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    • Ph.D. thesis, University of Cambridge
    • M.H. Lee, Ph.D. thesis, University of Cambridge, 1995.
    • (1995)
    • Lee, M.H.1
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    • B.D. Todd and R.M. Lynden-Bell, Surf. Sci. 281, 191 (1993); 328, 170 (1995).
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  • 57
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    • Ph.D. thesis, The Queen's University of Belfast
    • O. Fitzpatrick, Ph.D. thesis, The Queen's University of Belfast, 2002.
    • (2002)
    • Fitzpatrick, O.1
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    • edited by J. Lipkowski and P.M. Ross (VCH, New York)
    • D.M. Kolb, in Structure of Electrified Interfaces, edited by J. Lipkowski and P.M. Ross (VCH, New York, 1993), p. 65.
    • (1993) Structure of Electrified Interfaces , pp. 65
    • Kolb, D.M.1
  • 71
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    • edited by W.C. Johnson and J.M. Blakely (American Society for Metals, Metals Park, OH)
    • J.W. Cahn, in Interfacial Segregation, edited by W.C. Johnson and J.M. Blakely (American Society for Metals, Metals Park, OH, 1977).
    • (1977) Interfacial Segregation
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    • This assumption has been questioned by Láng and Heusler [G. Láng and K.E. Heusler, J. Electroanal. Chem. 377, 1 (1994)] who noted that typical experimental times might be insufficient for a surface to reach equilibrium and suggested a way to take this into account [see also R. Parsons, Solid State Ionics 94, 91 (1997)]. Here we consider only surfaces which are in equilibrium with the bulk material.
    • (1994) J. Electroanal. Chem. , vol.377 , pp. 1
    • Láng, G.1    Heusler, K.E.2
  • 73
    • 0031069291 scopus 로고    scopus 로고
    • This assumption has been questioned by Láng and Heusler [G. Láng and K.E. Heusler, J. Electroanal. Chem. 377, 1 (1994)] who noted that typical experimental times might be insufficient for a surface to reach equilibrium and suggested a way to take this into account [see also R. Parsons, Solid State Ionics 94, 91 (1997)]. Here we consider only surfaces which are in equilibrium with the bulk material.
    • (1997) Solid State Ionics , vol.94 , pp. 91
    • Parsons, R.1


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