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Growth of Graphene Nanocoil in a SiC Container: A Molecular Dynamics Study

Growth of Graphene Nanocoil in a SiC Container: A Molecular Dynamics Study
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摘要 Graphene nano structures find their application in modern nano electronics because of their excellent mechanical, unique electronics and electrical properties owing to the ballistic transport, where the charge carriers can move freely without getting scattered. In this work, we show a possibility to grow a miniaturised coil from a pre-existing graphene coil layer using molecular dynamics simulation. From our calculations it was observed that isolated carbon atoms get attached to the edge of the initial graphene coil and form an extension of the coil structure. The growth process depends strongly on the chirality of the growth front as well as the growth temperature. An optimal temperature between 2000 - 2300 K was proposed for all the edge structures except armchair (2500 K) type for the maximum number of the new hexagonal rings. Our results predict a technique that can be adopted experimentally to grow graphene nanocoil. Graphene nano structures find their application in modern nano electronics because of their excellent mechanical, unique electronics and electrical properties owing to the ballistic transport, where the charge carriers can move freely without getting scattered. In this work, we show a possibility to grow a miniaturised coil from a pre-existing graphene coil layer using molecular dynamics simulation. From our calculations it was observed that isolated carbon atoms get attached to the edge of the initial graphene coil and form an extension of the coil structure. The growth process depends strongly on the chirality of the growth front as well as the growth temperature. An optimal temperature between 2000 - 2300 K was proposed for all the edge structures except armchair (2500 K) type for the maximum number of the new hexagonal rings. Our results predict a technique that can be adopted experimentally to grow graphene nanocoil.
作者 Swastibrata Bhattacharyya Shotaro Otake Shota Ono Riichi Kuwahara Kaoru Ohno Swastibrata Bhattacharyya;Shotaro Otake;Shota Ono;Riichi Kuwahara;Kaoru Ohno(Department of Physics, Yokohama National University, Tokiwadai, Japan;Dassault Systèmes BIOVIA K.K., ThinkPark Tower, Osaki, Japan)
出处 《Advances in Materials Physics and Chemistry》 2016年第5期113-119,共7页 材料物理与化学进展(英文)
关键词 Graphene Coil Molecular Dynamics GROWTH SIC Graphene Coil Molecular Dynamics Growth SiC
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