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Volumn 113, Issue 15, 2000, Pages 6351-6360

On the theory of electron transfer reactions at semiconductor/liquid interfaces. II. A free electron model

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRON TUNNELING; FERMI LEVEL; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; ORGANIC COMPOUNDS; QUANTUM THEORY; RATE CONSTANTS; SEMICONDUCTING INDIUM PHOSPHIDE; SEMICONDUCTING SILICON;

EID: 0034295940     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1309528     Document Type: Article
Times cited : (81)

References (50)
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    • Wiley, New York, or Fig. 9, p. 176
    • 2, which is inversely proportional to the effective mass, is much larger at a band gap edge than is the curvature for a free electron. A k·p-based formula for the effective mass m is derived in Ref. 11 and illustrates the factors influencing m.
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    • 1, since <ψ|ψ>=1. Thus the numerator in the right-hand side of Eq. (14) becomes that of Eq. (15).
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    • note
    • 1 for s, p, and d orbitals are less than 0.007 for the cases considered in this paper.
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    • note
    • 2 are neglected, tacitly or explicitly (Refs. 27,28).
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    • note
    • The minima of E(k) for Si shows ellipticity and two different effective masses can be distinguished, parallel and orthogonal to the axis (100). Since we are interested in the electron transfer across the (100) surface, the mass parallel to the (100) axis is used.
  • 35
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    • Science Books International, Boston
    • Because of the asymmetry of the molecules studied in the experiments, there is some arbitrariness in estimating their radii and their closest distance to the semiconductor surface. This could bring in some error in estimating the electron transfer rate constant. The van der Waals' radii used in this study are taken from D. Freifelder, Physical Chemistry for Students of Biology and Chemistry (Science Books International, Boston, 1982), p. 60: H (1.2 Å), O (1.4 Å), and C (1.5 Å). The SiH (1.55 Å) and PO (1.84 Å) bond lengths are taken from D. F. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry (Freeman, New York, 1990), p. 68.
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    • Freeman, New York
    • Because of the asymmetry of the molecules studied in the experiments, there is some arbitrariness in estimating their radii and their closest distance to the semiconductor surface. This could bring in some error in estimating the electron transfer rate constant. The van der Waals' radii used in this study are taken from D. Freifelder, Physical Chemistry for Students of Biology and Chemistry (Science Books International, Boston, 1982), p. 60: H (1.2 Å), O (1.4 Å), and C (1.5 Å). The SiH (1.55 Å) and PO (1.84 Å) bond lengths are taken from D. F. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry (Freeman, New York, 1990), p. 68.
    • (1990) Inorganic Chemistry , pp. 68
    • Shriver, D.F.1    Atkins, P.W.2    Langford, C.H.3
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    • G. L. Miessler and D. A. Tarr, Inorganic Chemistry (Prentice-Hall, New Jersey, 1999); A. Haaland, Acc. Chem. Res. 12, 415 (1979); J. Giordan, J. H. Moore, and J. A. Tossel, ibid. 19, 281 (1979); E. Rühl and A. P. Hitchcock, J. Am. Chem. Soc. 111, 5069 (1989).
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