Oxygen adsorption on graphite and nanotubes

P. Giannozzi; Roberto Car; G. Scoles

doi:10.1063/1.1536636

Oxygen adsorption on graphite and nanotubes

P. Giannozzi
, Roberto Car
, G. Scoles

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

264 Scopus citations

Abstract

Calculations were made of the behavior of O₂ molecules interacting with perfect nanotubes. It was indicated that an O₂ molecule in the triplet state was only physisorbed on a nanotube or a graphene sheet, either perfect or with a Stone-Wales effect. Thus, no evidence that triplet O₂ absorbed at the walls of single-wall nanotubes (SWNTs) can affect their transport properties in a way that could explain the experimental observations.

Original language	English (US)
Pages (from-to)	1003-1006
Number of pages	4
Journal	Journal of Chemical Physics
Volume	118
Issue number	3
DOIs	https://doi.org/10.1063/1.1536636
State	Published - Jan 15 2003

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1536636

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title = "Oxygen adsorption on graphite and nanotubes",

abstract = "Calculations were made of the behavior of O2 molecules interacting with perfect nanotubes. It was indicated that an O2 molecule in the triplet state was only physisorbed on a nanotube or a graphene sheet, either perfect or with a Stone-Wales effect. Thus, no evidence that triplet O2 absorbed at the walls of single-wall nanotubes (SWNTs) can affect their transport properties in a way that could explain the experimental observations.",

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AB - Calculations were made of the behavior of O2 molecules interacting with perfect nanotubes. It was indicated that an O2 molecule in the triplet state was only physisorbed on a nanotube or a graphene sheet, either perfect or with a Stone-Wales effect. Thus, no evidence that triplet O2 absorbed at the walls of single-wall nanotubes (SWNTs) can affect their transport properties in a way that could explain the experimental observations.

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Oxygen adsorption on graphite and nanotubes

Abstract

All Science Journal Classification (ASJC) codes

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