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

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

77 Citations (Scopus)

Résumé

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.

langue originale	Anglais
Pages (de - à)	981-984
Nombre de pages	4
journal	Solid State Communications
Volume	18
Numéro de publication	8
Les DOIs	https://doi.org/10.1016/0038-1098(76)91221-7
état	Publié - 1 janv. 1976
Modification externe	Oui

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10.1016/0038-1098(76)91221-7

Contient cette citation

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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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T1 - The peroxy radical model for the chemisorption of O2 onto silicon surfaces

AU - Goddard, W. A.

AU - Redondo, A.

AU - McGill, T. C.

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Y1 - 1976/1/1

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

Résumé

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Contient cette citation

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