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Lee, Geunsik
Computational Research on Electronic Structure and Transport in Condensed Materials
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dc.citation.endPage 19781 -
dc.citation.number 40 -
dc.citation.startPage 19761 -
dc.citation.title JOURNAL OF PHYSICAL CHEMISTRY C -
dc.citation.volume 115 -
dc.contributor.author Acik, Muge -
dc.contributor.author Lee, Geunsik -
dc.contributor.author Mattevi, Cecilia -
dc.contributor.author Pirkle, Adam -
dc.contributor.author Wallace, Robert M. -
dc.contributor.author Chhowalla, Manish -
dc.contributor.author Cho,Kyeongjae -
dc.contributor.author Chabal, Yves -
dc.date.accessioned 2023-12-22T05:46:26Z -
dc.date.available 2023-12-22T05:46:26Z -
dc.date.created 2015-07-29 -
dc.date.issued 2011-09 -
dc.description.abstract Understanding the thermal reduction of graphene oxide (GO) is important for graphene exfoliation, and chemical and morphological modifications. In this process, the role of trapped water and the evolution of oxygen during annealing are still not well-understood. To unravel the complex mechanisms leading to the removal of oxygen in reduced GO, we have performed in situ transmission infrared absorption spectroscopy measurements of GO films upon thermal annealing at 60-850 degrees C in vacuum (10(-3)-10(-4) Torr). Using cluster-based first-principles calculations, epoxides, ethers (pyrans and furans), hydroxyls, carboxyls, lactols, and various types of ketones and their possible derivatives have been identified from the spectroscopic data. Furthermore, the interactions between randomly arranged nearby oxygen species are found to affect the spectral response (red and blue shifts) and the overall chemistry during annealing. For instance, the initial composition of oxygen species (relative amounts and types of species, such as hydroxyls, carboxyls, and carbonyls) and reduction times determine the final oxygen concentration (% of initial concentrations), varying from similar to 46-92% in multilayer GO to similar to 3-5% in single-layer GO. In the multilayer case, there is no dependence on the layer thickness. An important indicator of the reduction efficiency is the relative concentration of carbonyls at intermediate annealing temperatures (similar to 200 degrees C). These observations suggest that thermal annealing can foster the formation of free radicals containing oxygen in the presence of trapped water in GO, which further attack carboxyls, hydroxyls, and carbonyls, preferentially at edges rather than on basal plane defects. These findings impact the fabrication of electronics and energy storage devices. -
dc.identifier.bibliographicCitation JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.40, pp.19761 - 19781 -
dc.identifier.doi 10.1021/jp2052618 -
dc.identifier.issn 1932-7447 -
dc.identifier.scopusid 2-s2.0-80053900341 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/13133 -
dc.identifier.url http://pubs.acs.org/doi/abs/10.1021/jp2052618 -
dc.identifier.wosid 000295546100039 -
dc.language 영어 -
dc.publisher AMER CHEMICAL SOC -
dc.title.alternative The Role of Oxygen during Thermal Reduction of Graphene Oxide Studied by Infrared Absorption Spectroscopy -
dc.title The Role of Oxygen during Thermal Reduction of Graphene Oxide Studied by Infrared Absorption Spectroscopy -
dc.type Article -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -

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