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Yevhen Horbatenko
다차원 탄소재료 연구단
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Synergetic interplay between pressure and surface chemistry for the conversion of sp2-bonded carbon layers into sp3-bonded carbon films

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Title
Synergetic interplay between pressure and surface chemistry for the conversion of sp2-bonded carbon layers into sp3-bonded carbon films
Author(s)
Yevhen Horbatenko; Masood Yousaf; Jihyung Lee; Tae Hoon Choi; Rodney S. Ruoff; Noejung Park
Publication Date
2016-05
Journal
CARBON, v.106, no., pp.158 - 163
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Abstract
The effects of the interplay between pressure and surface chemistry on the transformation of few-layer graphene into an sp3-bonded carbon film were investigated with first-principles density functional theory calculations including ab initio molecular dynamics. N2H4, H2O, and He were each considered as a candidate pressure medium. Compared with the bulk graphite, the surface chemistry overwhelmingly governed the conversion energetics for nanometer-thick graphene layers. A hydrogen-donating medium reduced the required conversion pressure compared with an inert one; the conversion pressure obtained by using N2H4 was 40% of the corresponding pressure obtained with He. We suggest that pressurizing the cell through hydrogen-donating pressure media has the advantage from the surface chemistry by concentrating hydrogen atoms on carbon surfaces. © 2016 Elsevier Ltd. All rights reserved
URI
https://pr.ibs.re.kr/handle/8788114/2707
ISSN
0008-6223
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
Files in This Item:
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