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Further Reading
H. Gerischer, Z. Physikal. Chem. 26: 223 (1960). Absolute potential; Fermi level in solution.
P. Lohman, Z. Naturforsch. A22: 843 (1967). Calculation of the value of the absolute potential of the hydrogen electrode.
M. Ali Omar, Elementary Solid State Physics, Addison-Wesley, Reading, MA (1975). Fermi’s law, etc.
J. O’M. Bockris and S. U. M. Khan, Appl. Phys. Lett. 42: 124 (1983). Fermi levels in solution.
S. U. M. Khan and J. O’M. Bockris, J. Phys. Chem. 87: 2599 (1983). Electron transfer theory.
H. Reiss, J. Phys. Chem. 89: 3783 (1985). Absolute potentials.
S. Trasatti, in Trends in Interfacial Electrochemistry, A. Fernando Silva, ed., Vol. 179, NATO ASI Series 179, Reidel, Dordrecht (1986). The potential of oriented water at a metal/solution interface.
J. O’M. Bockris and S. Argade, J. Chem. Phys. 49: 5133 (1986). Calculation of the value for the absolute potential of the hydrogen electrode and of a Galvani potential.
S. U. M. Khan, R. Kainthla, and J. O’M. Bockris, J. Phys. Chem. 91: 594 (1987). Absolute potentials.
J. Goodisman, Electrochemistry: Theoretical Foundations, Wiley, New York (1987).
A. M. Kuznetsov, Charge Transfer in Physics, Chemistry and Biology, Gordon and Breach, Luxemborg (1995). Broad treatment of many aspects of charge transfer; only two out of twenty chapters are directly electrochemical.
R. J. Dewayne Miller, G. McLendon, A. J. Nozik, W. Schmickler, and Frank Willig, Surface Electron Transfer, VCH Publishers, New York (1995). Advanced discussions.
W. Schmickler, Interfacial Electrochemistry, Oxford University Press, Oxford (1996). A brief summary.
Further Readings Seminal
R. W. Gurney, Proc. Roy. Soc. London, A134: 127 (1931). The founding paper of quantum electrochemistry. Treatment of quantum mechanical transfer applied to protons at an electrode. However, the bond to the metal was not made.
J. Horiuti and J. C. Polanyi, Acta Physicochim. URSS 2: 505 (1935). Potential energy curves given for the discharge of protons onto metals. Effect of change of metal bond shown; foundation of electrocatalysis.
J. A. V. Butler, Proc. Roy. Soc. London A157: 423 (1936). Quantum mechanical Gurneyian approach corrected for bonding to metal.
R. Parsons and J. O’M. Bockris, Trans. Faraday Soc. 47: 914 (1951). Gurney-Butler approach applied quantitatively to proton discharge (numerical).
J. Weiss, Proc. Roy. Soc. London A222: 128 (1954). First electron transfer theory in terms of electrostatic changes, including energy of reorganization, ε opt and ε stat’ adiabatic and nonadiabatic theory, and much else.
R. Kubo and Y. Toyozawa, Prog. Theoret. Phys. 130: 411 (1955). Early formation of reorganization energy in electron transfer.
R. A. Marcus, J. Chem. Phys. 24: 966 (1956). Follows Weiss-like model, but explicitly applied to rate calculation. Harmonic oscillators.
B. E. Conway and J. O’M. Bockris, Canad. J. Chem. 35: 1124 (1957). Gurney-Butler approach to electrochemical desorption of adsorbed H. 3D models of potential surface for the reaction (numerical).
P. George and J. Griffith, in Enzymes, P. D. Boyer, H. Lardy and K. Myrback, eds., Vol. 1, p. 347, Academic Press, New York (1959). The first quantitative formulation of vibrational activation for redox reactions from first-layer ligands.
V. Levich and R. R. Dogonadze, Dokl. Akad. Nauk. SSSR 124: 123 (1959). Hamiltonian formulation for electron transfer; dielectric polarization approach. Quantum aspects of Weiss-Marcus model developed.
Modern
R. A. Marcus, J. Chem. Phys. 93: 679 (1965). The addition of the George and Griffith theory (vibrational activation) to electrostatics of electron transfer.
J. O’M. Bockris and D. B. Matthews, J. Chem. Phys. 44: 298 (1966). Quantal properties of the proton experimentally established.
V. G. Levich, in Physical Chemistry: An Advanced Treatise, H. Eyring, D. Henderson, and W. Jost, eds., Vol. 9B, Ch. 12, Academic Press, New York (1970). A review stressing polaron theory in a rationalization in quantal terms of outer-sphere activation.
J. O’M. Bockris, D. B. Matthews, and S. U. M. Khan, J. Res. Inst. Catal. 22: 1 (1974). The ΔG OX calculated from the electrostatic model of Weiss-Marcus is discrepant with experimental trends, but a vibrational energy based theory fits well.
S. U. M. Khan, P. Wright, and J. O’M. Bockris, Elektrokhimya 13: 914 (1977). The first application of time-dependent perturbation theory to quantum electrode kinetics;redox reactions.
J. O’M. Bockris and S. U. M. Khan, Quantum Electrochemistry, Plenum, New York (1979). A monograph.
W. Schmickler, J. Electroanal. Theory 100: 533 (1979). Theory of electrodic currents through coatings (and oxide films) in terms of resonance tunneling. Tafel lines curve.
W. Schmickler, J. Electroanal. Chem. 204: 31 (1986). A discussion of the influence of the choice of Hamiltonian on electron-transfer theory.
L. A. Curtis, J. W. Halley, J. Hautmann, and A. Bakman, J. Chem. Phys. 86: 2319 (1987). Molecular dynamics gives “activation energies” in agreement with experiment 3 times larger than those of Weiss-Marcus.
J. W. Halley and J. Hautmann, Phys. Rev. B 38: 11704 (1988). First molecular dynamic simulation of interfacial electron transfer.
J. O’M. Bockris and J. Wass, J. Electroanal. Chem. 267: 325 (1989). Electrode kinetics at the superconductor/solution interface.
A. M. Kuznetsov, in Modern Aspects of Electrochemistry, J. O’M. Bockris, B. E. Conway and R. White, eds., Vol. 20, Ch. 2, Plenum, New York (1990). A review stressing the dielectric continuum viewpoint.
W. Schmickler, J. Electroanal. Chem. 284: 269 (1990). A theory of the variation of the transfer coefficient with temperature.
A. B. Anderson, J. Electroanal. Chem. 280: 37 (1990). Molecular orbital theory and the influence of electrode potential.
C. E. D. Chidsey, Science 251: 919 (1991). Theory of electron transfer at gold covered by a thick layer of organic material.
J. M. Savéant, J. Am. Chem. Soc. 109: 6288 (1992). Anharmonic analysis of R − X+e 0 − → R + x − Activation energy is made up of 80% bond breaking.
V. Perez, J. M. Leach, and J. Bertran, J. Computational Chem. 13: 1057 (1992). A Monte Carlo approach to bond-breaking reactions at electrodes.
M. J. Weaver, Chem. Rev. 92: 463 (1992). A review, oriented to mechanism determination for redox reaction.
A. B. Anderson, Int. J. Quantum Chem. 49: 581 (1994). How electron density affects the electron-transfer rate.
P. J. Russky and J. D. Simon, Nature 370: 263 (1994). The solvent medium affects the rate of electron transfer.
D. A. Rose and E. Benjamin, J. Chem. Phys. 100: 3545 (1994). Molecular Dynamic Simulation of the free energy function in Fe 3+ + e → Fe 2+
W. Schmickler, Chem. Phys. Lett. 237: 152 (1995). Electron-transfer and ion-transfer reactions at electrodes distinguished.
J. B. Strauss, A. Calhoun, and G. Voth, J. Chem. Phys. 65: 529 (1995). Molecular dynamic (MD) simulation of charge transfer at the interface.
Z. Nagy, J. P. Bleaudeau, N. C. Hung, L. A. Curtiss, and D. J. Zurewski, J. Electrochem. Soc. 142: 1887 (1995).
W. Schmickler, Interfacial Electrochemistry, Oxford University Press, Oxford (1996). A 284-page encapsulation of selected elements of the theory assuming harmonic oscillators.
A. Calhoun and G. Voth, J. Phys. Chem. 140: 10746 (1996). Molecular dynamic simulation in redox reactions.
E. Benjamin, in Modern Aspects of Electrochemistry, R. H. White, B. E. Conway, and J. O’M. Bockris, eds., Vol. 31, Ch. 3, Plenum, New York (1997). Molecular dynamic simulation in interfacial electrochemistry.
S. U. M. Khan, in Modern Aspects of Electrochemistry, R. H. White, B. E. Conway, and J. O’M. Bockris, eds., Vol. 31, Ch. 2, Plenum, New York (1997). Quantum mechanical contributions to electrode kinetics.
J. O’M. Bockris and R. Sidik, J. Electroanal. Chem. 448(2): 189 (1998). A semiquantitative quantum theory of the oxygen reduction reaction.
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(2002). Some Quantum-Oriented Electrochemistry. In: Modern Electrochemistry 2A. Springer, Boston, MA. https://doi.org/10.1007/0-306-47605-3_4
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