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Proceedings of the National Academy of Sciences of the United States of America, volume 108, issue 17, pages 6833-6837

Graphane sheets and crystals under pressure

Wen Xiao-dong ¹

Hand Louis ²

Labet Vanessa ¹

Yang Tao ¹

HOFFMANN ROALD ¹

ASHCROFT N. W. ³

Oganov Artem R. ^{4, 5}

Lyakhov Andriy O. ⁴

Hide authors affiliations Show authors affiliations: 5 affiliations

Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853-1301; |

Department of Physics, Cornell University, Clark Hall, Ithaca, NY 14853-1301; |

Laboratory of Atomic and Solid State Physics and Cornell Center for Materials Research, Cornell University, Clark Hall, Ithaca, NY 14853-2501; |

⁴

Department of Geosciences and Department of Physics and Astronomy, State University of New York, Stony Brook, NY 11794-2100; and |

⁵

Geology Department, Moscow State University, Moscow 119992, Russia |

Publication type: Journal Article

Publication date: 2011-04-08

Proceedings of the National Academy of Sciences (PNAS)

Journal: Proceedings of the National Academy of Sciences of the United States of America

Quartile SCImago

Quartile WOS

Impact factor: 11.1

ISSN: 00278424, 10916490

DOI: 10.1073/pnas.1103145108

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Multidisciplinary

Abstract

Eight isomeric two-dimensional graphane sheets are found in a theoretical study. Four of these nets—two built on chair cyclohexanes, two on boat—are more stable thermodynamically than the isomeric benzene, or polyacetylene. Three-dimensional crystals are built up from the two-dimensional sheets, and their hypothetical behavior under pressure (up to 300 GPa) is explored. While the three-dimensional graphanes remain, as expected, insulating or semiconducting in this pressure range, there is a remarkable inversion in stability of the five crystals studied. Two stacking polytypes that are not the most stable at ambient pressure (one based on an unusual chair cyclohexane net, the other on a boat) are significantly stabilized with increasing pressure relative to stackings of simple chair sheets. The explanation may lie in the balance on intra and intersheet contacts in the extended arrays.

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Citations by journals

	1 2 3 4 5 6 7 8
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 8, 6.96% Journal of Physical Chemistry C 8 publications, 6.96%
Physical Review B	Physical Review B, 8, 6.96% Physical Review B 8 publications, 6.96%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 5, 4.35% Journal of Physics Condensed Matter 5 publications, 4.35%
Journal of the American Chemical Society	Journal of the American Chemical Society, 5, 4.35% Journal of the American Chemical Society 5 publications, 4.35%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 5, 4.35% Physical Chemistry Chemical Physics 5 publications, 4.35%
Carbon	Carbon, 4, 3.48% Carbon 4 publications, 3.48%
CrystEngComm	CrystEngComm, 3, 2.61% CrystEngComm 3 publications, 2.61%
International Journal of Hydrogen Energy	International Journal of Hydrogen Energy, 3, 2.61% International Journal of Hydrogen Energy 3 publications, 2.61%
ACS Nano	ACS Nano, 3, 2.61% ACS Nano 3 publications, 2.61%
Journal of Materials Chemistry C	Journal of Materials Chemistry C, 3, 2.61% Journal of Materials Chemistry C 3 publications, 2.61%
RSC Advances	RSC Advances, 3, 2.61% RSC Advances 3 publications, 2.61%
Nano Letters	Nano Letters, 2, 1.74% Nano Letters 2 publications, 1.74%
Physical Review Letters	Physical Review Letters, 2, 1.74% Physical Review Letters 2 publications, 1.74%
Journal of Chemical Physics	Journal of Chemical Physics, 2, 1.74% Journal of Chemical Physics 2 publications, 1.74%
Nanoscale	Nanoscale, 2, 1.74% Nanoscale 2 publications, 1.74%
Applied Physics Letters	Applied Physics Letters, 2, 1.74% Applied Physics Letters 2 publications, 1.74%
Journal of Molecular Modeling	Journal of Molecular Modeling, 2, 1.74% Journal of Molecular Modeling 2 publications, 1.74%
Journal of Physics: Conference Series	Journal of Physics: Conference Series, 2, 1.74% Journal of Physics: Conference Series 2 publications, 1.74%
Materials Science and Engineering B: Solid-State Materials for Advanced Technology	Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2, 1.74% Materials Science and Engineering B: Solid-State Materials for Advanced Technology 2 publications, 1.74%
Wiley Interdisciplinary Reviews: Computational Molecular Science	Wiley Interdisciplinary Reviews: Computational Molecular Science, 2, 1.74% Wiley Interdisciplinary Reviews: Computational Molecular Science 2 publications, 1.74%
AIP Conference Proceedings	AIP Conference Proceedings, 2, 1.74% AIP Conference Proceedings 2 publications, 1.74%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 1, 0.87% Journal of Physical Chemistry Letters 1 publication, 0.87%
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1, 0.87% Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 1 publication, 0.87%
Uspekhi Fizicheskih Nauk	Uspekhi Fizicheskih Nauk, 1, 0.87% Uspekhi Fizicheskih Nauk 1 publication, 0.87%
International Journal of Modern Physics B	International Journal of Modern Physics B, 1, 0.87% International Journal of Modern Physics B 1 publication, 0.87%
Geosciences (Switzerland)	Geosciences (Switzerland), 1, 0.87% Geosciences (Switzerland) 1 publication, 0.87%
Nature Communications	Nature Communications, 1, 0.87% Nature Communications 1 publication, 0.87%
Journal of Superconductivity and Novel Magnetism	Journal of Superconductivity and Novel Magnetism, 1, 0.87% Journal of Superconductivity and Novel Magnetism 1 publication, 0.87%
Nanoscale Research Letters	Nanoscale Research Letters, 1, 0.87% Nanoscale Research Letters 1 publication, 0.87%
	1 2 3 4 5 6 7 8

Citations by publishers

	5 10 15 20 25
American Chemical Society (ACS)	American Chemical Society (ACS), 22, 19.13% American Chemical Society (ACS) 22 publications, 19.13%
Elsevier	Elsevier, 20, 17.39% Elsevier 20 publications, 17.39%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 18, 15.65% Royal Society of Chemistry (RSC) 18 publications, 15.65%
American Physical Society (APS)	American Physical Society (APS), 10, 8.7% American Physical Society (APS) 10 publications, 8.7%
Springer Nature	Springer Nature, 9, 7.83% Springer Nature 9 publications, 7.83%
IOP Publishing	IOP Publishing, 8, 6.96% IOP Publishing 8 publications, 6.96%
Wiley	Wiley, 7, 6.09% Wiley 7 publications, 6.09%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 6, 5.22% American Institute of Physics (AIP) 6 publications, 5.22%
Pleiades Publishing	Pleiades Publishing, 2, 1.74% Pleiades Publishing 2 publications, 1.74%
International Union of Crystallography (IUCr)	International Union of Crystallography (IUCr), 1, 0.87% International Union of Crystallography (IUCr) 1 publication, 0.87%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 0.87% Uspekhi Fizicheskikh Nauk Journal 1 publication, 0.87%
World Scientific	World Scientific, 1, 0.87% World Scientific 1 publication, 0.87%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 1, 0.87% Multidisciplinary Digital Publishing Institute (MDPI) 1 publication, 0.87%
Taylor & Francis	Taylor & Francis, 1, 0.87% Taylor & Francis 1 publication, 0.87%
Oxford University Press	Oxford University Press, 1, 0.87% Oxford University Press 1 publication, 0.87%
Hindawi Limited	Hindawi Limited, 1, 0.87% Hindawi Limited 1 publication, 0.87%
	5 10 15 20 25

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GOST Copy

Wen X. et al. Graphane sheets and crystals under pressure // Proceedings of the National Academy of Sciences of the United States of America. 2011. Vol. 108. No. 17. pp. 6833-6837.

GOST all authors (up to 50) Copy

Wen X., Hand L., Labet V., Yang T., HOFFMANN R., ASHCROFT N. W., Oganov A. R., Lyakhov A. O. Graphane sheets and crystals under pressure // Proceedings of the National Academy of Sciences of the United States of America. 2011. Vol. 108. No. 17. pp. 6833-6837.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1073/pnas.1103145108

UR - https://doi.org/10.1073%2Fpnas.1103145108

TI - Graphane sheets and crystals under pressure

T2 - Proceedings of the National Academy of Sciences of the United States of America

AU - Wen, Xiao-dong

AU - Hand, Louis

AU - Labet, Vanessa

AU - ASHCROFT, N. W.

AU - Lyakhov, Andriy O.

AU - Oganov, Artem R.

AU - Yang, Tao

AU - HOFFMANN, ROALD

PY - 2011

DA - 2011/04/08 00:00:00

PB - Proceedings of the National Academy of Sciences (PNAS)

SP - 6833-6837

IS - 17

VL - 108

SN - 0027-8424

SN - 1091-6490

ER -

BibTex |

Cite this

BibTex Copy

@article{2011_Wen,

author = {Xiao-dong Wen and Louis Hand and Vanessa Labet and N. W. ASHCROFT and Andriy O. Lyakhov and Artem R. Oganov and Tao Yang and ROALD HOFFMANN},

title = {Graphane sheets and crystals under pressure},

journal = {Proceedings of the National Academy of Sciences of the United States of America},

year = {2011},

volume = {108},

publisher = {Proceedings of the National Academy of Sciences (PNAS)},

month = {apr},

url = {https://doi.org/10.1073%2Fpnas.1103145108},

number = {17},

pages = {6833--6837},

doi = {10.1073/pnas.1103145108}

}

MLA

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MLA Copy

Wen, Xiao-dong, et al. “Graphane sheets and crystals under pressure.” Proceedings of the National Academy of Sciences of the United States of America, vol. 108, no. 17, Apr. 2011, pp. 6833-6837. https://doi.org/10.1073%2Fpnas.1103145108.

Found error?

Publisher

Proceedings of the National Academy of Sciences (PNAS)

Journal

Proceedings of the National Academy of Sciences of the United States of America

Quartile SCImago

Quartile WOS

Impact factor

11.1

ISSN

00278424 (Print)
10916490 (Electronic)

Labs

Materials Design Laboratory

Profiles

Oganov, Artem R.