Phase diagram of solid-phase transformation in amorphous carbon nanorods

The transformations of amorphous carbon nanorods with different diameters and densities upon heating up to different temperatures are studied with density-functional-based tight-binding molecular dynamics. Phase diagrams with assorted transformed sp2 nanostructures depending on both temperatures and...

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Main Authors: Sorkin, Anastassia, Su, Haibin
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2014
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Online Access:https://hdl.handle.net/10356/101780
http://hdl.handle.net/10220/24182
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-1017802020-06-01T10:21:16Z Phase diagram of solid-phase transformation in amorphous carbon nanorods Sorkin, Anastassia Su, Haibin School of Materials Science & Engineering Institute of Advanced Studies DRNTU::Engineering::Materials The transformations of amorphous carbon nanorods with different diameters and densities upon heating up to different temperatures are studied with density-functional-based tight-binding molecular dynamics. Phase diagrams with assorted transformed sp2 nanostructures depending on both temperatures and line density, under different heating treatments, are presented to place the observations in perspective. Under instant heating, the lowest line density at which a carbon nanotube can form is 8 Å–1, while a double-walled carbon nanotube can form at a linear density of 19–20 Å–1 and higher. Under gradual heating, both partially unzipped carbon nanotubes and carbon nanoscrolls are formed as notable intermediate structural motifs. This work sheds light on the microscopic mechanism of various sp2 nanostructural formations with the featured motifs highlighted as important intermediates, which will serve as an important guide in producing graphene nanoribbons, single-walled and double-walled carbon nanotubes, and carbon nanoscrolls from amorphous carbon nanorods. 2014-11-04T09:29:17Z 2019-12-06T20:44:26Z 2014-11-04T09:29:17Z 2019-12-06T20:44:26Z 2014 2014 Journal Article Sorkin, A., & Su, H. (2014). Phase diagram of solid-phase transformation in amorphous carbon nanorods. The journal of physical chemistry A, 118(39), 9163-9172. https://hdl.handle.net/10356/101780 http://hdl.handle.net/10220/24182 10.1021/jp502928g en The journal of physical chemistry A © 2014 American Chemical Society.
institution Nanyang Technological University
building NTU Library
country Singapore
collection DR-NTU
language English
topic DRNTU::Engineering::Materials
spellingShingle DRNTU::Engineering::Materials
Sorkin, Anastassia
Su, Haibin
Phase diagram of solid-phase transformation in amorphous carbon nanorods
description The transformations of amorphous carbon nanorods with different diameters and densities upon heating up to different temperatures are studied with density-functional-based tight-binding molecular dynamics. Phase diagrams with assorted transformed sp2 nanostructures depending on both temperatures and line density, under different heating treatments, are presented to place the observations in perspective. Under instant heating, the lowest line density at which a carbon nanotube can form is 8 Å–1, while a double-walled carbon nanotube can form at a linear density of 19–20 Å–1 and higher. Under gradual heating, both partially unzipped carbon nanotubes and carbon nanoscrolls are formed as notable intermediate structural motifs. This work sheds light on the microscopic mechanism of various sp2 nanostructural formations with the featured motifs highlighted as important intermediates, which will serve as an important guide in producing graphene nanoribbons, single-walled and double-walled carbon nanotubes, and carbon nanoscrolls from amorphous carbon nanorods.
author2 School of Materials Science & Engineering
author_facet School of Materials Science & Engineering
Sorkin, Anastassia
Su, Haibin
format Article
author Sorkin, Anastassia
Su, Haibin
author_sort Sorkin, Anastassia
title Phase diagram of solid-phase transformation in amorphous carbon nanorods
title_short Phase diagram of solid-phase transformation in amorphous carbon nanorods
title_full Phase diagram of solid-phase transformation in amorphous carbon nanorods
title_fullStr Phase diagram of solid-phase transformation in amorphous carbon nanorods
title_full_unstemmed Phase diagram of solid-phase transformation in amorphous carbon nanorods
title_sort phase diagram of solid-phase transformation in amorphous carbon nanorods
publishDate 2014
url https://hdl.handle.net/10356/101780
http://hdl.handle.net/10220/24182
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