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Double grain boundary configurations on graphite surfaces.

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Title: Double grain boundary configurations on graphite surfaces.
Authors: Capasso, A.1 (AUTHOR) andrea.capasso@inl.int, Muñoz-Rojas, F.2 (AUTHOR), Gupta, B.3,4 (AUTHOR), Motta, N.3,4 (AUTHOR), Placidi, E.1,3,5 (AUTHOR) ernesto.placidi@uniroma1.it
Source: Carbon. Dec2020, Vol. 170, p630-635. 6p.
Subjects: Crystal grain boundaries, Scanning tunneling microscopy, Pyrolytic graphite, Graphite
Abstract: We investigated the atomic structure of different kinds of grain boundaries on highly oriented pyrolytic graphite (HOPG) by scanning tunneling microscopy. We categorized several grain boundary configurations as a function of the misorientation angle between the adjacent grains, highlighting the occurrence of double grain boundaries (i.e. , systems of two grain boundaries separated by a nanometric-scale inner region with specific atomic arrangement) for misorientation angles in the range 22°–32°. By using Molecular Dynamics simulations, we analyzed the structure and energy stability of single and double grain boundaries according to the misorientation angle. The experimental evidence is corroborated by Molecular Dynamics results and total energy calculations, which found a comparable stability between single and double grain boundaries for the same misorientation angle range. Our combination of experimental measurements and theoretical calculation extends the understanding of the structural configuration of large angle grain boundaries beyond the range of misorientation angles reported to date. Image 1 [ABSTRACT FROM AUTHOR]
Copyright of Carbon is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 146481423
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: <searchLink fieldCode="JN" term="%22Carbon%22">Carbon</searchLink>. Dec2020, Vol. 170, p630-635. 6p.
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  Data: <searchLink fieldCode="DE" term="%22Crystal+grain+boundaries%22">Crystal grain boundaries</searchLink><br /><searchLink fieldCode="DE" term="%22Scanning+tunneling+microscopy%22">Scanning tunneling microscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Pyrolytic+graphite%22">Pyrolytic graphite</searchLink><br /><searchLink fieldCode="DE" term="%22Graphite%22">Graphite</searchLink>
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  Data: We investigated the atomic structure of different kinds of grain boundaries on highly oriented pyrolytic graphite (HOPG) by scanning tunneling microscopy. We categorized several grain boundary configurations as a function of the misorientation angle between the adjacent grains, highlighting the occurrence of double grain boundaries (i.e. , systems of two grain boundaries separated by a nanometric-scale inner region with specific atomic arrangement) for misorientation angles in the range 22°–32°. By using Molecular Dynamics simulations, we analyzed the structure and energy stability of single and double grain boundaries according to the misorientation angle. The experimental evidence is corroborated by Molecular Dynamics results and total energy calculations, which found a comparable stability between single and double grain boundaries for the same misorientation angle range. Our combination of experimental measurements and theoretical calculation extends the understanding of the structural configuration of large angle grain boundaries beyond the range of misorientation angles reported to date. Image 1 [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
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  Data: <i>Copyright of Carbon is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1016/j.carbon.2020.08.046
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      – Code: eng
        Text: English
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        PageCount: 6
        StartPage: 630
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      – SubjectFull: Crystal grain boundaries
        Type: general
      – SubjectFull: Scanning tunneling microscopy
        Type: general
      – SubjectFull: Pyrolytic graphite
        Type: general
      – SubjectFull: Graphite
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              M: 12
              Text: Dec2020
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              Y: 2020
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