The peroxy radical model for the chemisorption of O2 onto silicon surfaces

W. A. Goddard; A. Redondo; T. C. McGill

doi:10.1016/0038-1098(76)91221-7

The peroxy radical model for the chemisorption of O₂ onto silicon surfaces

W. A. Goddard, A. Redondo, T. C. McGill

California Institute of Technology

Research output: Contribution to journal › Article › peer-review

Abstract

We propose that an oxygen molecule chemisorbed onto the silicon surface has an electronic structure corresponding to a peroxy radical. Using this model we carried out extensive theoretical calculations including electron correlation (generalized valence bond with configuration interaction) obtaining excitation energies and ionization potentials.

Original language	English
Pages (from-to)	981-984
Number of pages	4
Journal	Solid State Communications
Volume	18
Issue number	8
DOIs	https://doi.org/10.1016/0038-1098(76)91221-7
Publication status	Published - 1 Jan 1976
Externally published	Yes

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title = "The peroxy radical model for the chemisorption of O2 onto silicon surfaces",

abstract = "We propose that an oxygen molecule chemisorbed onto the silicon surface has an electronic structure corresponding to a peroxy radical. Using this model we carried out extensive theoretical calculations including electron correlation (generalized valence bond with configuration interaction) obtaining excitation energies and ionization potentials.",

author = "Goddard, \{W. A.\} and A. Redondo and McGill, \{T. C.\}",

year = "1976",

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AU - Redondo, A.

AU - McGill, T. C.

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N2 - We propose that an oxygen molecule chemisorbed onto the silicon surface has an electronic structure corresponding to a peroxy radical. Using this model we carried out extensive theoretical calculations including electron correlation (generalized valence bond with configuration interaction) obtaining excitation energies and ionization potentials.

AB - We propose that an oxygen molecule chemisorbed onto the silicon surface has an electronic structure corresponding to a peroxy radical. Using this model we carried out extensive theoretical calculations including electron correlation (generalized valence bond with configuration interaction) obtaining excitation energies and ionization potentials.

U2 - 10.1016/0038-1098(76)91221-7

DO - 10.1016/0038-1098(76)91221-7

M3 - Article

AN - SCOPUS:0017291513

SN - 0038-1098

VL - 18

SP - 981

EP - 984

JO - Solid State Communications

JF - Solid State Communications

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ER -

The peroxy radical model for the chemisorption of O2 onto silicon surfaces

Abstract

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The peroxy radical model for the chemisorption of O₂ onto silicon surfaces