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Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene. / Yamaletdinov, Ruslan D.; Katkov, Vsevolod L.; Nikiforov, Yaroslav A. et al.

In: Advanced Theory and Simulations, Vol. 3, No. 4, 1900199, 01.04.2020.

Research output: Contribution to journal › Article › peer-review

Harvard

Yamaletdinov, RD, Katkov, VL, Nikiforov, YA, Okotrub, AV & Osipov, VA 2020, 'Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene', Advanced Theory and Simulations, vol. 3, no. 4, 1900199. https://doi.org/10.1002/adts.201900199

APA

Yamaletdinov, R. D., Katkov, V. L., Nikiforov, Y. A., Okotrub, A. V., & Osipov, V. A. (2020). Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene. Advanced Theory and Simulations, 3(4), [1900199]. https://doi.org/10.1002/adts.201900199

Vancouver

Yamaletdinov RD, Katkov VL, Nikiforov YA, Okotrub AV, Osipov VA. Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene. Advanced Theory and Simulations. 2020 Apr 1;3(4):1900199. doi: 10.1002/adts.201900199

Author

Yamaletdinov, Ruslan D. ; Katkov, Vsevolod L. ; Nikiforov, Yaroslav A. et al. / Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene. In: Advanced Theory and Simulations. 2020 ; Vol. 3, No. 4.

BibTeX

@article{2254b20fa7484de5b93d4a26e2e25cdc,
title = "Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene",
abstract = "Within the framework of stochastic reactive molecular dynamics simulations a statistical method for generating fluorinated graphene structures with desirable fluorine distribution is developed. Electronic transport properties of fluorinated graphene in a wide range of functionalization degrees and system ordering are investigated. A strong correlation between irregularities in fluorine distribution and electronic properties is found. In particular, proposed consideration allows for the reproduction of both the experimentally observed electron–hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10% fluoride content.",
keywords = "electron transport, fluorinated graphene, graphene, molecular dynamics, molecular modeling, QUANTUM TRANSPORT",
author = "Yamaletdinov, {Ruslan D.} and Katkov, {Vsevolod L.} and Nikiforov, {Yaroslav A.} and Okotrub, {Alexander V.} and Osipov, {Vladimir A.}",
year = "2020",
month = apr,
day = "1",
doi = "10.1002/adts.201900199",
language = "English",
volume = "3",
journal = "Advanced Theory and Simulations",
issn = "2513-0390",
publisher = "Wiley-VCH Verlag",
number = "4",

}

RIS

TY - JOUR

T1 - Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene

AU - Yamaletdinov, Ruslan D.

AU - Katkov, Vsevolod L.

AU - Nikiforov, Yaroslav A.

AU - Okotrub, Alexander V.

AU - Osipov, Vladimir A.

PY - 2020/4/1

Y1 - 2020/4/1

N2 - Within the framework of stochastic reactive molecular dynamics simulations a statistical method for generating fluorinated graphene structures with desirable fluorine distribution is developed. Electronic transport properties of fluorinated graphene in a wide range of functionalization degrees and system ordering are investigated. A strong correlation between irregularities in fluorine distribution and electronic properties is found. In particular, proposed consideration allows for the reproduction of both the experimentally observed electron–hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10% fluoride content.

AB - Within the framework of stochastic reactive molecular dynamics simulations a statistical method for generating fluorinated graphene structures with desirable fluorine distribution is developed. Electronic transport properties of fluorinated graphene in a wide range of functionalization degrees and system ordering are investigated. A strong correlation between irregularities in fluorine distribution and electronic properties is found. In particular, proposed consideration allows for the reproduction of both the experimentally observed electron–hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10% fluoride content.

KW - electron transport

KW - fluorinated graphene

KW - graphene

KW - molecular dynamics

KW - molecular modeling

KW - QUANTUM TRANSPORT

UR - http://www.scopus.com/inward/record.url?scp=85079866370&partnerID=8YFLogxK

U2 - 10.1002/adts.201900199

DO - 10.1002/adts.201900199

M3 - Article

AN - SCOPUS:85079866370

VL - 3

JO - Advanced Theory and Simulations

JF - Advanced Theory and Simulations

SN - 2513-0390

IS - 4

M1 - 1900199

ER -

ID: 23666524