Effect of fluorine patterns on electronic transport in fluorinated graphene
Within the framework of stochastic reactive molecular dynamics simulations we develop a statistical method for generating fluorinated graphene structures with desirable fluorine distribution. Electronic transport properties of fluorinated graphene in a wide range of functionalization degree and syst...
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Veröffentlicht in: | arXiv.org 2019-09 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | Within the framework of stochastic reactive molecular dynamics simulations we develop a statistical method for generating fluorinated graphene structures with desirable fluorine distribution. Electronic transport properties of fluorinated graphene in a wide range of functionalization degree and system ordering are investigated. We have found a strong correlation between irregularities in fluorine distribution and electronic properties. In particular, proposed consideration allows us to reproduce both the experimentally observed electron-hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10 % fluoride content. |
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ISSN: | 2331-8422 |
DOI: | 10.48550/arxiv.1909.11331 |