Open Access

, volume 119 , issue 5 , pages 2828-2836

Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study

Liubov Yu Antipina ^{1, 2}

Pavel B. Sorokin ^{1, 3}

Hide authors affiliations Show authors affiliations: 3 affiliations

Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow, 142190, Russian Federation |

Moscow Institute of Physics and Technology, 9 Institutsky lane, Dolgoprudny, 141700, Russian Federation |

National University of Science and Technology MISIS, 4 Leninskiy prospekt, Moscow, 119049, Russian Federation |

Publication type: Journal Article

Publication date: 2015-01-28

American Chemical Society (ACS)

Journal of Physical Chemistry C

scimago Q1

wos Q3

SJR: 0.914

CiteScore: 6.2

Impact factor: 3.2

ISSN: 19327447, 19327455

DOI: 10.1021/jp510390b

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Surfaces, Coatings and Films

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

General Energy

Abstract

We propose a new way to produce high-quality films of diamond from chemically functionalized few-layer graphene. Our ab initio calculations show that depending on functionalization few-layer graphene may convert spontaneously in a well- defined way to either cubic or hexagonal diamond films with a specific surface and well- defined properties. We provide specific results for the converting process using H, H2 ,F , F2 ,H 2O, and NH3 as adsorbates at different temperatures and pressures.

Found

7 citations

Sorokin Pavel

🥼 🤝

DSc in Physics and Mathematics, associate professor

200 publications, 8 152 citations, 21 reviews

h-index: 40

National University of Science & Technology (MISiS)

Institute of Microelectronics Technology and High Purity Materials of the Russian Academy of Sciences

Research interests

2D Materials

Ab initio

Computational chemistry

Condensed matter physics

Density functional theory (DFT)

Nanomaterials for biomedicine

Non-covalent Interactions

4 citations

Kvashnin Alexander

🥼 🤝

DSc in Physics and Mathematics

108 publications, 6 305 citations, 35 reviews

h-index: 32

Skolkovo Institute of Science and Technology

Functional composite materials

3 citations

Erohin Sergey

28 publications, 337 citations

h-index: 9

National University of Science & Technology (MISiS)

3 citations

Varlamova Lyubov

14 publications, 69 citations, 1 review

h-index: 7

National University of Science & Technology (MISiS)

Research interests

2D Materials

Density functional theory (DFT)

Graphene

Quantum Chemistry

2 citations

Antipina Liubov

🥼 🤝

PhD in Physics and Mathematics

38 publications, 738 citations, 5 reviews

h-index: 14

National University of Science & Technology (MISiS)

Theoretical Chemistry

Water treatment

2 citations

Kvashnin Dmitry

🥼

DSc in Physics and Mathematics, associate professor

110 publications, 4 619 citations, 5 reviews

h-index: 23

Moscow Institute of Physics and Technology

Emanuel Institute of Biochemical Physics of the Russian Academy of Sciences

Pirogov Russian National Research Medical University

Mechanics of materials

2 citations

Demin Victor

42 publications, 406 citations

h-index: 12

Emanuel Institute of Biochemical Physics of the Russian Academy of Sciences

1 citation

Korepanov Vitaly

🥼 🤝

DSc in Physics and Mathematics

67 publications, 867 citations, 60 reviews

h-index: 13

Institute of Microelectronics Technology and High Purity Materials of the Russian Academy of Sciences

Research interests

1D Materials

2D Materials

High-purity substances

Nanomaterials

Raman spectroscopy

1 citation

Katin Konstantin

🥼

DSc in Physics and Mathematics, associate professor

154 publications, 2 123 citations, 128 reviews

h-index: 26

National Research Nuclear University MEPhI

1 citation

Maslov M

140 publications, 1 935 citations, 55 reviews

h-index: 24

National Research Nuclear University MEPhI

1 citation

Utpal Sarkar

🥼 🤝

PhD in Physics and Mathematics, associate professor, associate member of the Indian National Science Academy

147 publications, 6 221 citations, 108 reviews

h-index: 38

Assam University

Research interests

Nanostructure simulation

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Cite this

GOST |

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GOST Copy

Antipina L. Yu. et al. Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study // Journal of Physical Chemistry C. 2015. Vol. 119. No. 5. pp. 2828-2836.

GOST all authors (up to 50) Copy

Antipina L. Yu., Sorokin P. B. Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study // Journal of Physical Chemistry C. 2015. Vol. 119. No. 5. pp. 2828-2836.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1021/jp510390b

UR - https://doi.org/10.1021/jp510390b

TI - Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study

T2 - Journal of Physical Chemistry C

AU - Antipina, Liubov Yu

AU - Sorokin, Pavel B.

PY - 2015

DA - 2015/01/28

PB - American Chemical Society (ACS)

SP - 2828-2836

IS - 5

VL - 119

SN - 1932-7447

SN - 1932-7455

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2015_Antipina,

author = {Liubov Yu Antipina and Pavel B. Sorokin},

title = {Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study},

journal = {Journal of Physical Chemistry C},

year = {2015},

volume = {119},

publisher = {American Chemical Society (ACS)},

month = {jan},

url = {https://doi.org/10.1021/jp510390b},

number = {5},

pages = {2828--2836},

doi = {10.1021/jp510390b}

}

MLA

Cite this

MLA Copy

Antipina, Liubov Yu., et al. “Converting Chemically Functionalized Few-Layer Graphene to Diamond Films: A Computational Study.” Journal of Physical Chemistry C, vol. 119, no. 5, Jan. 2015, pp. 2828-2836. https://doi.org/10.1021/jp510390b.

Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry C

scimago Q1

wos Q3

SJR

0.914

CiteScore

6.2

Impact factor

3.2

ISSN

19327447 (Print)

19327455 (Electronic)

Labs

Laboratory of Digital Materials Science

Profiles