Equilibrium at the edge and atomistic mechanisms of graphene growth
Identifieur interne : 000509 ( Main/Exploration ); précédent : 000508; suivant : 000510Equilibrium at the edge and atomistic mechanisms of graphene growth
Auteurs : Vasilii I. Artyukhov ; Yuanyue Liu ; Boris I. Yakobson [États-Unis]Source :
- Proceedings of the National Academy of Sciences of the United States of America [ 0027-8424 ] ; 2012.
Abstract
The morphology of graphene is crucial for its applications, yet an adequate theory of its growth is lacking: It is either simplified to a phenomenological-continuum level or is overly detailed in atomistic simulations, which are often intractable. Here we put forward a comprehensive picture dubbed nanoreactor, which draws from ideas of step-flow crystal growth augmented by detailed first-principles calculations. As the carbon atoms migrate from the feedstock to catalyst to final graphene lattice, they go through a sequence of states whose energy levels can be computed and arranged into a step-by-step map. Analysis begins with the structure and energies of arbitrary edges to yield equilibrium island shapes. Then, it elucidates how the atoms dock at the edges and how they avoid forming defects. The sequence of atomic row assembly determines the kinetic anisotropy of growth, and consequently, graphene island morphology, explaining a number of experimental facts and suggesting how the growth product can further be improved. Finally, this analysis adds a useful perspective on the synthesis of carbon nanotubes and its essential distinction from graphene.
Url:
DOI: 10.1073/pnas.1207519109
PubMed: 22949702
PubMed Central: 3458398
Affiliations:
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Yakobson</name><affiliation><nlm:aff wicri:cut=", and" id="aff1">Department of Mechanical Engineering and Materials Science</nlm:aff></affiliation><affiliation wicri:level="2"><nlm:aff id="aff2">Department of Chemistry and Smalley Institute of Nanoscale Science and Technology, Rice University, Houston, TX 77005</nlm:aff><country xml:lang="fr">États-Unis</country><placeName><region type="state">Texas</region></placeName><wicri:cityArea>Department of Chemistry and Smalley Institute of Nanoscale Science and Technology, Rice University, Houston</wicri:cityArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">22949702</idno><idno type="pmc">3458398</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3458398</idno><idno type="RBID">PMC:3458398</idno><idno type="doi">10.1073/pnas.1207519109</idno><date when="2012">2012</date><idno type="wicri:Area/Pmc/Corpus">000402</idno><idno type="wicri:Area/Pmc/Curation">000402</idno><idno type="wicri:Area/Pmc/Checkpoint">000421</idno><idno type="wicri:Area/Ncbi/Merge">000348</idno><idno type="wicri:Area/Ncbi/Curation">000348</idno><idno type="wicri:Area/Ncbi/Checkpoint">000348</idno><idno type="wicri:doubleKey">0027-8424:2012:Artyukhov V:equilibrium:at:the</idno><idno type="wicri:Area/Main/Merge">000510</idno><idno type="wicri:Area/Main/Curation">000509</idno><idno type="wicri:Area/Main/Exploration">000509</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Equilibrium at the edge and atomistic mechanisms of graphene growth</title><author><name sortKey="Artyukhov, Vasilii I" sort="Artyukhov, Vasilii I" uniqKey="Artyukhov V" first="Vasilii I." last="Artyukhov">Vasilii I. Artyukhov</name><affiliation><nlm:aff wicri:cut=", and" id="aff1">Department of Mechanical Engineering and Materials Science</nlm:aff></affiliation></author><author><name sortKey="Liu, Yuanyue" sort="Liu, Yuanyue" uniqKey="Liu Y" first="Yuanyue" last="Liu">Yuanyue Liu</name><affiliation><nlm:aff wicri:cut=", and" id="aff1">Department of Mechanical Engineering and Materials Science</nlm:aff></affiliation></author><author><name sortKey="Yakobson, Boris I" sort="Yakobson, Boris I" uniqKey="Yakobson B" first="Boris I." last="Yakobson">Boris I. Yakobson</name><affiliation><nlm:aff wicri:cut=", and" id="aff1">Department of Mechanical Engineering and Materials Science</nlm:aff></affiliation><affiliation wicri:level="2"><nlm:aff id="aff2">Department of Chemistry and Smalley Institute of Nanoscale Science and Technology, Rice University, Houston, TX 77005</nlm:aff><country xml:lang="fr">États-Unis</country><placeName><region type="state">Texas</region></placeName><wicri:cityArea>Department of Chemistry and Smalley Institute of Nanoscale Science and Technology, Rice University, Houston</wicri:cityArea></affiliation></author></analytic><series><title level="j">Proceedings of the National Academy of Sciences of the United States of America</title><idno type="ISSN">0027-8424</idno><idno type="eISSN">1091-6490</idno><imprint><date when="2012">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The morphology of graphene is crucial for its applications, yet an adequate theory of its growth is lacking: It is either simplified to a phenomenological-continuum level or is overly detailed in atomistic simulations, which are often intractable. Here we put forward a comprehensive picture dubbed nanoreactor, which draws from ideas of step-flow crystal growth augmented by detailed first-principles calculations. As the carbon atoms migrate from the feedstock to catalyst to final graphene lattice, they go through a sequence of states whose energy levels can be computed and arranged into a step-by-step map. Analysis begins with the structure and energies of arbitrary edges to yield equilibrium island shapes. Then, it elucidates how the atoms dock at the edges and how they avoid forming defects. The sequence of atomic row assembly determines the kinetic anisotropy of growth, and consequently, graphene island morphology, explaining a number of experimental facts and suggesting how the growth product can further be improved. Finally, this analysis adds a useful perspective on the synthesis of carbon nanotubes and its essential distinction from graphene.</p></div></front></TEI><affiliations><list><country><li>États-Unis</li></country><region><li>Texas</li></region></list><tree><noCountry><name sortKey="Artyukhov, Vasilii I" sort="Artyukhov, Vasilii I" uniqKey="Artyukhov V" first="Vasilii I." last="Artyukhov">Vasilii I. Artyukhov</name><name sortKey="Liu, Yuanyue" sort="Liu, Yuanyue" uniqKey="Liu Y" first="Yuanyue" last="Liu">Yuanyue Liu</name></noCountry><country name="États-Unis"><region name="Texas"><name sortKey="Yakobson, Boris I" sort="Yakobson, Boris I" uniqKey="Yakobson B" first="Boris I." last="Yakobson">Boris I. Yakobson</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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