2009
DOI: 10.1021/jp904321n
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Ozone Adsorption on Graphene: Ab Initio Study and Experimental Validation

Abstract: We have investigated ozone adsorption on graphene using the ab initio density functional theory method. Ozone molecules adsorb on graphene basal plane with binding energy of 0.25 eV, and the physisorbed molecule can chemically react with graphene to form an epoxide group and an oxygen molecule. The activation energy barrier from physisorption to chemisorption is 0.72 eV, and the chemisorbed state has the binding energy of 0.33 eV. These binding energies and energy barrier indicate that the ozone adsorption on … Show more

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Cited by 181 publications
(166 citation statements)
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References 33 publications
(80 reference statements)
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“…Ozone molecules ͑O 3 ͒ are expected to preferentially form epoxide groups ͑C u O u C͒ in graphene but other chemical groups can also be created such as C v C, C v O, and C u O. 24 Specifically, we first clean graphene samples by placing them in a flow of Ar/ H 2 gas at 300°C for 3 h. We then expose the samples to ozone in a Novascan ozone chamber, where ozone is produced by ultraviolet irradiation of O 2 gas ͑ϳ7 min, 4 atm͒. The appearance of the D peak in the Raman spectrum ͑Fig.…”
Section: Resultsmentioning
confidence: 99%
“…Ozone molecules ͑O 3 ͒ are expected to preferentially form epoxide groups ͑C u O u C͒ in graphene but other chemical groups can also be created such as C v C, C v O, and C u O. 24 Specifically, we first clean graphene samples by placing them in a flow of Ar/ H 2 gas at 300°C for 3 h. We then expose the samples to ozone in a Novascan ozone chamber, where ozone is produced by ultraviolet irradiation of O 2 gas ͑ϳ7 min, 4 atm͒. The appearance of the D peak in the Raman spectrum ͑Fig.…”
Section: Resultsmentioning
confidence: 99%
“…[21][22][23] The conductivity of carbon nanotubes (CNTs) was found to increase at low ozone dose or exposure time. 24,25 The proposed mechanism for this increase was the ozone adsorption on the CNT surface, which induces charge transfer effects.…”
Section: Introductionmentioning
confidence: 99%
“…Recently, various studies have dealt with the oxidation of graphene by ozone and O ions. [5][6][7][8][9][10][11][12][13][14] In an ozone generator, C atoms are removed from the graphene lattice and vacancies are formed. The morphology of exposed singlelayer and multilayer graphene samples reflects a highly disordered nature, which varies with the thickness.…”
mentioning
confidence: 99%