Skip to main content
SpringerLink
Log in

Molecular Dynamic Simulations in Interfacial Electrochemistry

  • Chapter
Modern Aspects of Electrochemistry

Part of the book series: Modern Aspects of Electrochemistry ((MAOE,volume 31))

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. A. J. Bard and L. R. Faulkner, Electrochemical Methods: Fundamentals and Applications, Wiley, New York, 1980.

    Google Scholar 

  2. C. Gutierrez and C. Melendres, Spectroscopic and Diffraction Techniques in Interfacial Electrochemistry, Kluwer, Dordrecht, 1990.

    Google Scholar 

  3. J. O.’M. Bockris and A. Gonzalez-Martin, in Spectroscopic and Diffraction Techniques in Interfacial Electrochemistry, Ed. by C. Gutierrez and C. Melendres, Kluwer, Dordrecht, 1990, p. 1.

    Google Scholar 

  4. J. O.’M. Bockris and S. U. M. Khan, Surface Electrochemistry, Plenum Press, New York, 1993.

    Google Scholar 

  5. A. J. Bard, H. D. Abruña, C. E. Chidsey, L. R. Faulkner, S. W. Foldberg, K. Itaya, M. Majda, O. Melroy, R. W. Murray, M. D. Porter, M. P. Soriaga, and H. S. White, J. Phys. Chem. 97(1993)7147.

    CAS  Google Scholar 

  6. R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup, The Chemical Physics of Solvation; Part C, Elsevier, Amsterdam, 1988.

    Google Scholar 

  7. J. Goodisman, Electrochemistry: Theoretical Foundations, Wiley, New York, 1987.

    Google Scholar 

  8. W. Schmickler, Interfacial Electrochemistry, Oxford University Press, Oxford, 1996.

    Google Scholar 

  9. C. A. Croxton, Fluid Interfacial Phenomena, Wiley, New York, 1986.

    Google Scholar 

  10. A. Pohorille and M. A. Wilson, J. Mol. Struct. (Theochem) 284 (1993) 271.

    CAS  Google Scholar 

  11. S.-B. Zhu, S. Singh, and G. W. Robinson, Adv. Chem. Phys. 85 (1994) 627.

    Google Scholar 

  12. G. W. Robinson, S. Singh, and M. W. Evans, Water in Biology, Chemistry and Physics. Experimental Overviews and Computational Methodologies, World Scientific, Singa-pore, 1996.

    Google Scholar 

  13. Y. Marcus, Ion Solvation, Wiley, New York, 1985.

    Google Scholar 

  14. R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup, The Chemical Physics of Solvation Part A, Elsevier, Amsterdam, 1985.

    Google Scholar 

  15. Faraday Discuss. Chem. Soc.85 (1988).

    Google Scholar 

  16. S. Trasatti, in Modern Aspects of Electrochemistry, Ed. by B. E. Conway and J. O.’M. Bockris, Plenum Press, New York, 1979.

    Google Scholar 

  17. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon, Oxford, 1987.

    Google Scholar 

  18. C. A. Croxton, Statistical Mechanics of the Liquid Surface, Wiley, New York, 1980.

    Google Scholar 

  19. J. S. Rowlinson and B. Widom, Molecular Theory of Capillarity, Clarendon, Oxford, 1982.

    Google Scholar 

  20. D. Henderson, Fundamentals of Inhomogeneous Fluids, Marcel Dekker, New York, 1992.

    Google Scholar 

  21. H. J. C. Berendsen, J. P. M. Postma, W. F. V. Gunsteren, and J. Hermans, in Intermolecular Forces, Ed. by B. Pullman, Reidel, Dordrecht, 1981, p. 331.

    Google Scholar 

  22. J.-L. Barrat and I. R. McDonald, Mol. Phys. 70 (1990) 535.

    CAS  Google Scholar 

  23. K. Kuchitsu and Y. Morino, Bull. Chem. Soc. Jpn. 38 (1965) 814.

    CAS  Google Scholar 

  24. M. Sprik and M. L. Klein, J. Chem. Phys. 89 (1988) 7556.

    CAS  Google Scholar 

  25. P. Ahlstrom, A. Wallqvist, S. Engstrom, and B. Jonsson, Mol. Phys. 68 (1989) 563.

    Google Scholar 

  26. L. X. Dang, J. E. Rice, J. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 113 (1991) 2481.

    Article  CAS  Google Scholar 

  27. A. Wallqvist, Chem. Phys. Lett. 165 (1990) 437.

    Article  CAS  Google Scholar 

  28. K. Motakabbir and M. Berkowitz, Chem. Phys. Lett. 176 (1991) 61.

    Article  CAS  Google Scholar 

  29. T. M. Chang and L. X. Dang, J. Chem. Phys. 104 (1996) 6772.

    CAS  Google Scholar 

  30. C. Pangali, M. Rao, and B. J. Berne, J. Chem. Phys. 71 (1979) 2975.

    CAS  Google Scholar 

  31. C. Y. Lee, J. A. McCammon, and P. J. Rossky, J. Chem. Phys. 80 (1984) 4448.

    CAS  Google Scholar 

  32. J. Hautman, J. W. Halley, and Y.-J. Rhee, J. Chem. Phys. 91 (1989) 467.

    CAS  Google Scholar 

  33. L. L. Lee, Molecular Thermodynamics of Nonideal Fluids, Butterworth, Boston, 1988.

    Google Scholar 

  34. J. N. Israelachvili, Intermolecular and Surfaces Forces, Academic Press, London, 1992.

    Google Scholar 

  35. M. Watanabe, A. M. Brodsky, and W. P. Reinhardt, J. Phys. Chem. 95 (1991) 4593.

    CAS  Google Scholar 

  36. J. N. Glosli and M. R. Philpott, J. Chem. Phys. 96 (1992) 6962.

    Article  CAS  Google Scholar 

  37. K. Raghavan, K. Foster, K. Motakabbir, and M. Berkowitz, J. Chem. Phys. 94 (1991) 2110.

    Article  CAS  Google Scholar 

  38. K. Raghavan, K. Foster, and M. Berkowitz, Chem. Phys. Lett. 177 (1991) 426.

    Article  CAS  Google Scholar 

  39. E. Spohr and K. Heinzinger, Ber. Bunsen-Ges. Phys. Chem. 92 (1988) 1358.

    CAS  Google Scholar 

  40. E. Spohr, J. Phys. Chem. 93 (1989) 6171.

    Article  CAS  Google Scholar 

  41. S. Holloway and K. H. Bennemann, Surf. Sci. 101 (1980) 327.

    Article  CAS  Google Scholar 

  42. P. A. Thiel and T. E. Madey, Surf. Sci. Rept. 7 (1987) 211.

    CAS  Google Scholar 

  43. S.-B. Zhu and M. R. Philpott, J. Chem. Phys. 100 (1994) 6961.

    CAS  Google Scholar 

  44. J.M. Holender, Phys.Rev.B 41(1990)8054.

    Article  CAS  Google Scholar 

  45. L. E. Gonzalez, D. J. Gonzalez, and M. Silbert, Physica B 168 (1991) 39.

    Article  CAS  ISI  Google Scholar 

  46. J. Theilhaber, Phys. Fluids B 4 (1992) 2044.

    Article  CAS  Google Scholar 

  47. C. Martin, E. Lomba, J. A. Anta, and M. Lombardero, J. Phys. Condens. Matter 5 (1993) 379.

    Google Scholar 

  48. G. Kresse and J. Hafner, J. Non-Crstal. Solids 156 (1993) 956.

    Google Scholar 

  49. M. A. Gomez and S. A. Rice, J. Chem. Phys. 101 (1994) 8094.

    Article  CAS  Google Scholar 

  50. S. Kambayashi and J. Chihara, Molecular Simulation 16 (1996) 31.

    CAS  ISI  Google Scholar 

  51. J. Böcker, R. R. Nazmutdinov, E. Spohr, and K. Heinzinger, Surf. Sci. 335 (1995) 372.

    Google Scholar 

  52. R. R. Nazmutdinov, M. Probst, and K. Heinzinger, J. Electroanal. Chem. 369 (1994) 227.

    Article  CAS  Google Scholar 

  53. J. I. Siepmann and M. Sprik, Surf. Sci. Lett. 279 (1992) L185.

    Article  Google Scholar 

  54. J. I. Siepmann and M. Sprik, J. Chem. Phys. 102 (1995) 511.

    Article  CAS  Google Scholar 

  55. R. Guidelli, in Trends in Interfacial Electrochemistry, Ed. by A. F. Silva, Riedel, Dor-drecht, 1986.

    Google Scholar 

  56. A. A. Kornyshev, W. Schmickler, and M. A. Vorotyntsev, Phys. Rev. B 25 (1982) 5244.

    Article  CAS  Google Scholar 

  57. J. P. Badiali, M. L. Rosinberg, and J. Goodisman, J. Electroanal. Chem. 150 (1983) 25.

    Article  CAS  Google Scholar 

  58. W. Schmickler and D. Henderson, J. Chem. Phys. 85 (1986) 1650.

    Article  CAS  Google Scholar 

  59. D. L. Price and J. W. Halley, Phys. Rev. B 38 (1988) 9357.

    Google Scholar 

  60. D. R. Bérard, M. Kinoshita, X. Ye, and G. N. Patey, J. Chem. Phys. 101 (1994) 6271.

    Google Scholar 

  61. C. N. Patra and S. K. Ghosh, J. Chem. Phys. 102 (1995) 556.

    Article  Google Scholar 

  62. D. L. Price and J. W. Halley, J. Chem. Phys. 102 (1995) 6603.

    Article  CAS  Google Scholar 

  63. J. R. Smith, Phys. Rev. 181 (1969) 522.

    CAS  Google Scholar 

  64. R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.

    Article  CAS  Google Scholar 

  65. G. Galli and M. Parrinello, in Computer Simulations in Materials Science, Ed. by M. Meyer and V. Pontikis, Kluwer, Dordrecht, 1991.

    Google Scholar 

  66. M. E. Tuckerman, B. J. Berne, G. J. Martyna, and M. L. Klein, J. Chem. Phys. 97 (1992) 2635.

    Article  Google Scholar 

  67. D. Marx and M. Parrinello, J. Chem. Phys. 104 (1996) 4077.

    CAS  Google Scholar 

  68. M. E. Tuckerman, D. Marx, M. L. Klein, and M. Parrinello, J. Chem. Phys. 104 (1996) 5579.

    Article  CAS  Google Scholar 

  69. M. E. Tuckerman, P. J. Ungar, T. v. Rosenvinge, and M. L. Klein, J. Phys. Chem. 100 (1996) 12878.

    Article  CAS  Google Scholar 

  70. E. Madelung, Phys. Z 19 (1918) 524.

    Google Scholar 

  71. P. Ewald, Ann. Phys. 64 (1921) 253.

    Google Scholar 

  72. J. A. Barker, in The Problem of Long-Range Forces in the Computer Simulation of Condensed Matter, Ed. by D. Ceperley, Vol. 9, NRCC Workshop Proceedings, 1980, p. 45

    Google Scholar 

  73. J. Hautman and M. L. Klein, Mol. Phys. 75 (1992) 379.

    CAS  Google Scholar 

  74. J. N. Glosli and M. R. Philpott, in Microscopic Models of Electrode-Electrolyte Interfaces, Ed. by J. W. Halley and L. Blum, Vol. 93-5, Electrochemical Society, 1993, p. 80.

    Google Scholar 

  75. L. Greengard and V. Rokhlin, J. Comp. Phys. 73 (1987) 325.

    Google Scholar 

  76. J. P. Valleau, in The Problem of Long-Range Forces in the Computer Simulation of Condensed Matter, Ed. by D. Ceperley, Vol. 9, NRCC Workshop Proceedings, 1980, p.3.

    Google Scholar 

  77. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102 (1995) 4574.

    Article  CAS  Google Scholar 

  78. F. H. Stillinger and A. Ben-Naim, J. Chem. Phys. 47 (1967) 4431.

    Google Scholar 

  79. R. G. Horn and J. N. Israelachvili, J. Chem. Phys. 75 (1981) 1400.

    Article  CAS  Google Scholar 

  80. J. N. Israelachvili, Adv. Coll. Int. Sci. 16 (1982) 31.

    CAS  Google Scholar 

  81. J. D. Porter and A. S. Zinn, J. Phys. Chem. 97 (1993) 1190.

    CAS  Google Scholar 

  82. D. R. Berard and G. N. Patey, J. Chem. Phys. 95 (1991) 5281.

    CAS  Google Scholar 

  83. M. J. Booth, D. M. Duh, and A. D. J. Haymet, J. Chem. Phys. 101 (1994) 7925.

    Article  CAS  Google Scholar 

  84. K. Heinzinger and E. Spohr, Electrochim. Acta 34 (1989) 1849.

    Article  CAS  Google Scholar 

  85. J. Böcker, E. Spohr, and K. Heinzinger, Z. Naturforsch. 50a (1995) 611.

    Google Scholar 

  86. J. Goodisman, J. Chem. Phys. 82 (1985) 560.

    Article  CAS  Google Scholar 

  87. M. Iwamatsu, J. Phys. Soc. Jpn. 60 (1991) 1272.

    CAS  Google Scholar 

  88. L. Bosio, R. Cortes, M. Denoziere, and G. Folcher, Coll. Phys. C7, Suppl. 10 50 (1989) 23.

    Google Scholar 

  89. D. B. Parry, M. G. Samant, H. Seki, M. R. Philpott, and K. Ashley, Langmuir 9 (1993) 1878.

    Article  CAS  ISI  Google Scholar 

  90. T. T. Chen, J. F. Owen, R. K. Chang, and B. L. Laube, Chem. Phys. Lett. 89 (1982) 356.

    Article  CAS  Google Scholar 

  91. R. M. Corn and D. A. Higgins, Chem. Rev. 94 (1994) 107.

    Article  CAS  Google Scholar 

  92. M. A. Wilson, A. Pohorille, and L. R. Pratt, J. Chem. Phys. 88 (1988) 3281.

    CAS  Google Scholar 

  93. G. Nagy, K. Heinzinger, and E. Spohr, Faraday Discuss. 94 (1992) 307.

    Article  CAS  Google Scholar 

  94. J. N. Glosli and M. R. Philpott, Electrochim. Acta 41 (1996) 2145.

    Article  CAS  Google Scholar 

  95. R. Guidelli and G. Aloisi, in Electrified Interfaces in Physics, Chemistry and Biology, Ed. by R. Guidelli, Kluwer, Dordrecht, 1992, p. 309.

    Google Scholar 

  96. I. Benjamin, Chem. Rev. 96 (1996) 1449.

    Article  CAS  Google Scholar 

  97. D. A. McQuarrie, Statistical Mechanics, Harper & Row, New York, 1976.

    Google Scholar 

  98. E. Spohr, Chem. Phys. 141 (1990) 87.

    Article  CAS  Google Scholar 

  99. K. Heinzinger, Pure and Appl. Chem. 63 (1991) 1733.

    CAS  Google Scholar 

  100. D. A. Rose and I. Benjamin, J. Chem. Phys. 95 (1991) 6856.

    Article  CAS  Google Scholar 

  101. S. H. Lee, J. C. Rasaiah, and J. B. Hubbard, J. Chem. Phys. 85 (1986) 5232.

    CAS  Google Scholar 

  102. K. J. Strandburg, Rev. Mod. Phys. 60 (1988) 161.

    Article  CAS  Google Scholar 

  103. A. M. Brodsky and L. I. Daikhin, Soviet Electrochem. 25 (1989) 379.

    Google Scholar 

  104. M. F. Toney, J. N. Howard, J. Richter, G. L. Borges, D. G. Weisler, D. Yee, and L. B. Sorensen, Nature 368 (1994) 444.

    Article  CAS  ISI  Google Scholar 

  105. K.-I. Ataka, T. Yotsuyanagi, and M. Osawa, J. Phys. Chem. 100 (1996) 10664.

    Article  CAS  Google Scholar 

  106. G. Nagy and K. Heinzinger, J. Electroanal. Chem. 296 (1990) 549.

    Article  CAS  Google Scholar 

  107. D. A. Rose and I. Benjamin, J. Chem. Phys. 98 (1993) 2283.

    CAS  Google Scholar 

  108. X. Xia, L. Perera, U. Essmann, and M. L. Berkowitz, Surf. Sci. 335 (1995) 401.

    Article  CAS  Google Scholar 

  109. X. Xia and M. L. Berkowitz, Phys. Rev. Lett. 74 (1995) 3193.

    Article  CAS  Google Scholar 

  110. J. O.’M. Bockris and M. A. Habib, Langmuir 2 (1986) 388.

    Google Scholar 

  111. S. L. Carnie and G. M. Torrie, Adv. Chem. Phys. 56 (1984) 141.

    CAS  Google Scholar 

  112. L. Blum, in Fluid Interfacial Phenomena, Ed. by C. A. Croxton, Wiley, New York, 1986, p. 391.

    Google Scholar 

  113. G. M. Torrie, P. G. Kusalik, and G. N. Patey, J. Chem. Phys. 91 (1989) 6367.

    Article  CAS  Google Scholar 

  114. L. Blum, Adv. Chem. Phys. 78 (1990) 171.

    CAS  Google Scholar 

  115. W. Schmickler, Electrified Interfaces in Physics, Chemistry and Biology, Ed. by R. Guidelli, Kluwer, Dordrecht, 1992, p. 399.

    Google Scholar 

  116. P. Attard, Adv. Chem. Phys. 92 (1996) 1.

    CAS  Google Scholar 

  117. R. W. Impey, P. A. Madden, and I. R. McDonald, J. Phys. Chem. 87 (1983) 5071.

    Article  CAS  Google Scholar 

  118. M. R. Philpott, in Cluster Models for Surface and Bulk Phenomena, Ed. by G. Pacchioni, Plenum Press, New York, 1992, p. 359.

    Google Scholar 

  119. P. Bopp, in The Physics and Chemistry of Aqueous Ionic Solutions, Ed. by M.-C. Bellissent-Funel and G. W. Neilson, Reidel, Dordrecht, 1987, p. 217.

    Google Scholar 

  120. T. P. Straatsma and H. J. C. Berendsen, J. Chem. Phys. 89 (1988) 5876.

    Article  CAS  Google Scholar 

  121. M. Berkowitz, O. A. Karim, J. A. McCammon, and P. J. Rossky, Chem. Phys. Lett. 105 (1984) 577.

    Article  CAS  Google Scholar 

  122. B. M. Pettitt and P. J. Rossky, J. Chem. Phys. 84 (1986) 5836.

    Article  CAS  Google Scholar 

  123. L. X. Dang and B. M. Pettitt, J. Phys. Chem. 94 (1990) 4303.

    Article  CAS  Google Scholar 

  124. J. N. Glosli and M. R. Philpott, J. Chem. Phys. 98 (1993) 9995.

    Article  CAS  Google Scholar 

  125. J. Seitz-Beywl, M. Poxleitner, M. M. Probst, and K. Heinzinger, Int. J. Quantum Chem. 42 (1992) 1141.

    Article  CAS  Google Scholar 

  126. G. Tóth, E. Spohr, and K. Heinzinger, Chem. Phys. 200 (1995) 347.

    Google Scholar 

  127. J. Seitz-Beywl, M. Poxleitner, and K. Heinzinger, Z. Naturforsch. 46 (1991) 876.

    CAS  Google Scholar 

  128. L. Perera and M. L. Berkowitz, J. Phys. Chem. 97 (1993) 13803.

    Article  CAS  Google Scholar 

  129. G. Tóth and K. Heinzinger, Chem. Phys. Lett. 245 (1995) 48.

    Google Scholar 

  130. T. Matsui and W. L. Jorgensen, J. Am. Chem. Soc. 114 (1992) 3220.

    Article  CAS  Google Scholar 

  131. C. H. Bennett, in Algorithms for Chemical Computations, Ed. by R. E. Christofferson, ACS Symposium Series 46, American Chemical Society, Washington, DC, 1977.

    Google Scholar 

  132. G. M. Torrie and J. P. Valleau, J. Comput. Phys. 23 (1977) 187.

    Article  Google Scholar 

  133. J. B. Anderson, Adv. Chem. Phys. 91 (1995) 381.

    CAS  Google Scholar 

  134. G. Ciccotti, M. Ferrario, J. T. Hynes, and R. Kapral, Chem. Phys. 129 (1989) 241.

    Article  CAS  Google Scholar 

  135. E. Spohr, Chem. Phys. Lett. 207 (1993) 214.

    Article  CAS  Google Scholar 

  136. E. Spohr, J. Mol. Liq. 64 (1995) 91.

    Article  CAS  Google Scholar 

  137. E. Spohr, Acta. Chem. Scand. 49 (1995) 189.

    Article  CAS  Google Scholar 

  138. E. Spohr, “Computer modeling of aqueous/metallic interfaces,” Habilitationsschrift, Ulm, Germany, 1995.

    Google Scholar 

  139. G. Gouy, J. Phys. 9 (1910) 457.

    CAS  Google Scholar 

  140. D. L. Chapman, Phil. Mag. 25 (1913) 475.

    Google Scholar 

  141. G. N. Patey and G. M. Torrie, Chem. Scr. 29A (1989) 39.

    CAS  Google Scholar 

  142. L. Blum and D. Henderson, in Fundamentals of inhomogeneous Fluids, Ed. by D. Henderson, Marcel Dekker, New York, 1992, p. 239.

    Google Scholar 

  143. E. Spohr and K. Heinzinger, J. Chem. Phys. 84 (1986) 2304.

    Article  CAS  Google Scholar 

  144. K. Heinzinger, Fluid Phase Equilibria 104 (1995) 277.

    Article  CAS  ISI  Google Scholar 

  145. M. R. Philpott and J. N. Glosli, Surf. Sci. 335 (1995) 422.

    Article  CAS  Google Scholar 

  146. M. R. Philpott, Chem. Phys. 198 (1995) 53.

    Article  CAS  Google Scholar 

  147. M. R. Philpott and J. N. Glosli, J. Electrochem. Soc. 142 (1995) L25.

    CAS  Google Scholar 

  148. R. A. Marcus, Ann. Rev. Phys. Chem. 15 (1964) 155.

    Article  CAS  Google Scholar 

  149. J. Ulstrup, Charge Transfer Processes in Condensed Media, Springer, Berlin, 1979.

    Google Scholar 

  150. R. W. Gurney, Proc. R. Soc. (Lond.) A 134 (1931) 137.

    Google Scholar 

  151. J. T. Hynes, in The Theory of Chemical Reactions, Ed. by M. Baer, Vol. 4, CRC Press, Boca Raton, FL, 1985, p. 171.

    Google Scholar 

  152. M. J. Weaver, Chem. Rev. 92 (1992) 463.

    Article  CAS  Google Scholar 

  153. P. J. Rossky and J. D. Simon, Nature 370 (1994) 263.

    Article  CAS  ISI  Google Scholar 

  154. R. A. Marcus, Rev. Mod. Phys. 65 (1993) 599.

    Article  CAS  Google Scholar 

  155. R. A. Marcus, J. Chem. Phys. 38 (1963) 1858.

    CAS  Google Scholar 

  156. R. A. Marcus, J. Chem. Phys. 39 (1963) 1734.

    CAS  Google Scholar 

  157. M. D. Newton and N. Sutin, Ann. Rev. Phys. Chem. 35 (1984) 437.

    Article  CAS  Google Scholar 

  158. G. King and A. Warshel, J. Chem. Phys. 93 (1990) 8682.

    CAS  Google Scholar 

  159. R. A. Marcus, J. Chem. Phys. 24 (1956) 966.

    CAS  Google Scholar 

  160. R. A. Marcus, J. Chem. Phys. 24 (1956) 979.

    CAS  Google Scholar 

  161. R. A. Marcus, J. Chem. Phys. 43 (1965) 679.

    CAS  Google Scholar 

  162. R. A. Kuharski, J. S. Bader, D. Chandler, M. Sprik, M. L. Klein, and R. W. Impey, J. Chem. Phys. 89 (1988) 3248.

    Article  CAS  Google Scholar 

  163. D. A. Rose and I. Benjamin, J. Chem. Phys. 100 (1994) 3545.

    Article  CAS  Google Scholar 

  164. I. Benjamin, J. Phys. Chem. 95 (1991) 6675.

    CAS  Google Scholar 

  165. J. B. Straus and G. A. Voth, J. Phys. Chem. 97 (1993) 7388.

    Article  CAS  Google Scholar 

  166. I. Benjamin, in Structure and Reactivity in Aqueous Solution, Ed. by C. J. Cramer and D. G. Truhlar, ACS Symposium Series 568, American Chemical Society, Washington, D. C., 1994, p.409.

    Google Scholar 

  167. B. B. Smith and J. W. Halley, J. Chem. Phys. 101 (1994) 10915.

    CAS  Google Scholar 

  168. X. Xia and M. L. Berkowitz, Chem. Phys. Lett. 227 (1994) 561.

    Article  CAS  Google Scholar 

  169. D. A. Rose and I. Benjamin, Chem. Phys. Lett. 234 (1995) 209.

    Article  CAS  Google Scholar 

  170. J. B. Straus, A. Calhoun, and G. A. Voth, J. Chem. Phys. 102 (1995) 529.

    Article  CAS  Google Scholar 

  171. A. Warshel, J. Phys. Chem. 86 (1982) 2218.

    Article  CAS  Google Scholar 

  172. J. K. Hwang and A. Warshel, J. Chem. Phys. 84 (1986) 4938.

    Google Scholar 

  173. J. K. Hwang and A. Warshel, J. Am. Chem. Soc. 109 (1987) 715.

    Article  CAS  Google Scholar 

  174. J. W. Halley and J. Hautman, Phys. Rev. B 38 (1988) 11704.

    Article  Google Scholar 

  175. L. A. Curtiss, J. W. Halley, J. Hautman, N. C. Hung, Z. Nagy, Y.-J. Rhee, and R. M. Yonco, J. Electrochem. Soc. 138 (1991) 2032.

    CAS  Google Scholar 

  176. C. Zener, Proc. R. Soc. (Lond.) A 137 (1932) 696.

    Article  Google Scholar 

  177. L. D. Landau and E. M. Lifshitz, Quantum Mechanics: Non-relativistic Theory, Per-gamon, New York, 1977.

    Google Scholar 

  178. T. Holstein, Ann. Phys. 8 (1959) 325.

    CAS  Google Scholar 

  179. D. A. Zichi, G. Ciccotti, J. T. Hynes, and M. Ferrario, J. Phys. Chem. 93 (1989) 6261.

    Article  CAS  Google Scholar 

  180. W. P. Keirstead, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 95 (1991) 5256.

    Article  CAS  Google Scholar 

  181. R. M. Whitnell and K. R. Wilson, in Reviews in Computational Chemistry, Ed. by K. B. Lipkowitz and D. B. Boyd, VCH Publishers, New York, 1993.

    Google Scholar 

  182. D. Chandler, Introduction to Modern Statistical Mechanics, Oxford University Press, Oxford, 1987.

    Google Scholar 

  183. R. R. Dogonadze, A. M. Kuznetsov, and M. A. Vorotyntsev, J. Electroanal. Chem. 25 (1970) 17.

    Article  Google Scholar 

  184. V. G. Levich, in Physical Chemistry, an Advanced Treatise, Ed. by H. Eyring, D. Henderson, and W. Jost, Vol. 9B, Academic Press, New York, 1970, p. 985.

    Google Scholar 

  185. W. Schmickler, J. Electroanal. Chem. 204 (1986) 31.

    Article  CAS  Google Scholar 

  186. K. L. Sebastian and P. Ananthapadmanabhan, J. Electroanal. Chem. 230 (1987) 43.

    Article  CAS  Google Scholar 

  187. A. M. Kuznetsov, J. Electroanal. Chem. 241 (1988) 45.

    Article  CAS  Google Scholar 

  188. K. L. Sebastian, J. Chem. Phys. 90 (1989) 5056.

    Article  CAS  Google Scholar 

  189. B. B. Smith and J. T. Hynes, J. Chem. Phys. 99 (1993) 6517.

    CAS  Google Scholar 

  190. J. P. Muscat and D. N. Newns, Progr. Surf. Sci. 9 (1978) 1.

    Article  CAS  Google Scholar 

  191. J. S. Bader, R. A. Kuharski, and D. Chandler, J. Chem. Phys. 93 (1990) 230.

    Article  CAS  Google Scholar 

  192. G. J. Hanna and R. D. Noble, Chem. Rev. 85 (1985) 583.

    Article  CAS  Google Scholar 

  193. H. H. Girault and D. J. Schiffrin, in Electroanalytical Chemistry, Ed. by A. J. Bard, Dekker, New York, 1989, p. 1.

    Google Scholar 

  194. K. B. Eisenthal, Ann. Rev. Phys. Chem. 43 (1992) 627.

    Article  CAS  Google Scholar 

  195. H. H. Girault, in Modern Aspects of Electrochemistry, Ed. by J. O.’M. Bockris, B. E. Conway, and R. E. White, Vol. 25, Plenum Press, New York, 1993, p. 1.

    Google Scholar 

  196. I. Benjamin, in Liquid-Liquid Interfaces, Ed. by A. G. Volkov and D. W. Deamer, CRC Press, Boca Raton, 1996, p. 179.

    Google Scholar 

  197. P. Linse, J. Chem. Phys. 86 (1987) 4177.

    Article  CAS  Google Scholar 

  198. J. Gao and W. L. Jorgensen, J. Phys. Chem. 92 (1988) 5813.

    CAS  Google Scholar 

  199. I. L. Carpenter and W. J. Hehre, J. Phys. Chem. 94 (1990) 531.

    CAS  Google Scholar 

  200. I. Benjamin, J. Chem. Phys. 97 (1992) 1432.

    Article  CAS  Google Scholar 

  201. A. R. Vanbuuren, S. J. Marrink, and H. J. C. Berendsen, J. Phys. Chem. 97 (1993) 9206.

    CAS  Google Scholar 

  202. D. Michael and I. Benjamin, J. Phys. Chem. 99 (1995) 1530.

    CAS  Google Scholar 

  203. D. Michael and I. Benjamin, J. Phys. Chem. 99 (1995) 16810.

    CAS  Google Scholar 

  204. M. Hayoun, M. Meyer, and M, Mareschal, in Chemical Reactivity in Liquids, Ed. by G. Ciccotti and P. Turq, Plenum, New York, 1987, p. 279.

    Google Scholar 

  205. S. Toxvaerd and J. Stecki, J. Chem. Phys. 102 (1995) 7163.

    Article  CAS  Google Scholar 

  206. K. J. Schweighofer and I. Benjamin, J. Electroanal. Chem. 391 (1995) 1.

    Article  CAS  Google Scholar 

  207. I. Benjamin, Science 261 (1993) 1558.

    CAS  ISI  Google Scholar 

  208. K. J. Schweighofer and I. Benjamin, J. Phys. Chem. 99 (1995) 9974.

    Article  CAS  Google Scholar 

  209. I. Benjamin, J. Chem. Phys. 96 (1992) 577.

    Article  CAS  Google Scholar 

  210. M. Hayoun, M. Meyer, and P. Turq, J. Phys. Chem. 98 (1994) 6626.

    Article  CAS  Google Scholar 

  211. I. Benjamin, Chem. Phys. 180 (1994) 287.

    Article  CAS  Google Scholar 

  212. A. Pohorille and M. A. Wilson, J. Chem. Phys. 104 (1996) 3760.

    Article  CAS  Google Scholar 

  213. A. Pohorille, P. Cieplak, and M. A. Wilson, Chem. Phys. 204 (1996) 337.

    Article  CAS  Google Scholar 

  214. A. Pohorille and M. A. Wilson, in Reaction Dynamics in Clusters and Condensed Phases, Ed. by J. Jortner, R. D. Levine, and B. Pullman, Kluwer, Dordrecht, 1994, p. 207.

    Google Scholar 

  215. I. Benjamin, Ann. Rev. Phys. Chem. 48 (1997) 401.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, University of California, Santa Cruz, California, 95064

    Ilan Benjamin

Authors
  1. Ilan Benjamin
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Texas A&M University, College Station, Texas

    J. O’M. Bockris

  2. University of South Carolina, Columbia, South Carolina

    Ralphe E. White

  3. University of Ottawa, Ottawa, Ontario, Canada

    B. E. Conway

Rights and permissions

Reprints and permissions

Copyright information

© 2002 Kluwer Academic Publishers

About this chapter

Cite this chapter

Benjamin, I. (2002). Molecular Dynamic Simulations in Interfacial Electrochemistry. In: Bockris, J.O., White, R.E., Conway, B.E. (eds) Modern Aspects of Electrochemistry. Modern Aspects of Electrochemistry, vol 31. Springer, Boston, MA. https://doi.org/10.1007/0-306-46910-3_3

Download citation

  • DOI: https://doi.org/10.1007/0-306-46910-3_3

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-0-306-45650-3

  • Online ISBN: 978-0-306-46910-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation