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Journal of Physical Chemistry C, volume 118, issue 46, pages 26894-26901

Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations

Krasheninnikov Arkady V. ¹

Berseneva Natalia ²

Kvashnin Dmitry ³

Enkovaara Jussi ^{2, 4}

Björkman Torbjörn ²

Sorokin Pavel B. ^{3, 5, 6}

Shtansky Dmitry V. ³

NIEMINEN Risto M ^{2, 7}

Golberg Dmitri ⁸

Hide authors affiliations Show authors affiliations: 8 affiliations

Department of Applied Physics, Aalto University, P.O. Box 11100, FI-00076 Aalto, Finland |

COMP Centre of Excellence, Department of Applied Physics, Aalto University, P.O. Box 11100, FI-00076 AALTO, Finland |

National University of Science and Technology “MISiS”, Leninsky pr. 4, Moscow 119049, Russian Federation |

⁴

CSC-IT Center for Science Ltd., FI-02101 Espoo, Finland |

⁵

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

⁶

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

⁷

Dean’s Office, Aalto University School of Science, P.O. Box 11000, 00076 Aalto, Finland |

⁸

World Premier International Center (WPI) for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, Ibaraki 3050044, Japan |

Publication type: Journal Article

Publication date: 2014-11-10

American Chemical Society (ACS)

Journal: Journal of Physical Chemistry C

Quartile SCImago

Quartile WOS

Impact factor: 3.7

ISSN: 19327447, 19327455

DOI: 10.1021/jp509505j

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Surfaces, Coatings and Films

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

General Energy

Abstract

Lightweight mechanically strong composite Al/BN nanotube materials may find applications in the automotive and space industries because addition of a few percent of the nanotubes considerably improves the mechanical properties of the Al matrix. At the same time, experiments indicate that bonding at the interface between Al and the nanotubes is rather weak, which limits the performance of the composites. To get precise microscopic knowledge of the atomic structure and bonding at the interface between the Al matrix and BN nanotubes and to suggest ways to improve the adhesion, we employ density functional theory with van der Waals exchange–correlation functionals and carry out first-principles calculations of the interface between the Al(111) surface and hexagonal BN sheets, mimicking BN nanotubes with large diameters. We estimate the bonding energy and the interfacial critical shear stress and compare the theoretical results to the experimental data. We further assess how point defects, such as atomic vacan...

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Citations by journals

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Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing	Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing, 4, 16% Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing 4 publications, 16%
Nanoscale	Nanoscale, 2, 8% Nanoscale 2 publications, 8%
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 2, 8% Journal of Physical Chemistry C 2 publications, 8%
Catalysis Science and Technology	Catalysis Science and Technology, 1, 4% Catalysis Science and Technology 1 publication, 4%
Technical Physics Letters	Technical Physics Letters, 1, 4% Technical Physics Letters 1 publication, 4%
Materials and Design	Materials and Design, 1, 4% Materials and Design 1 publication, 4%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 1, 4% Physical Chemistry Chemical Physics 1 publication, 4%
Coatings	Coatings, 1, 4% Coatings 1 publication, 4%
Journal of Applied Physics	Journal of Applied Physics, 1, 4% Journal of Applied Physics 1 publication, 4%
Physical Review B	Physical Review B, 1, 4% Physical Review B 1 publication, 4%
Metals	Metals, 1, 4% Metals 1 publication, 4%
Materials	Materials, 1, 4% Materials 1 publication, 4%
Extreme Mechanics Letters	Extreme Mechanics Letters, 1, 4% Extreme Mechanics Letters 1 publication, 4%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 1, 4% Journal of Physics Condensed Matter 1 publication, 4%
IOP Conference Series: Materials Science and Engineering	IOP Conference Series: Materials Science and Engineering, 1, 4% IOP Conference Series: Materials Science and Engineering 1 publication, 4%
Journal of Nuclear Materials	Journal of Nuclear Materials, 1, 4% Journal of Nuclear Materials 1 publication, 4%
Russian Journal of Non-Ferrous Metals	Russian Journal of Non-Ferrous Metals, 1, 4% Russian Journal of Non-Ferrous Metals 1 publication, 4%
Powder Metallurgy аnd Functional Coatings	Powder Metallurgy аnd Functional Coatings, 1, 4% Powder Metallurgy аnd Functional Coatings 1 publication, 4%
Izvestiya Vysshikh Uchebnykh Zavedenii, Seriya Khimiya i Khimicheskaya Tekhnologiya	Izvestiya Vysshikh Uchebnykh Zavedenii, Seriya Khimiya i Khimicheskaya Tekhnologiya, 1, 4% Izvestiya Vysshikh Uchebnykh Zavedenii, Seriya Khimiya i Khimicheskaya Tekhnologiya 1 publication, 4%
Applied Surface Science Advances	Applied Surface Science Advances, 1, 4% Applied Surface Science Advances 1 publication, 4%
	1 2 3 4

Citations by publishers

	1 2 3 4 5 6 7 8
Elsevier	Elsevier, 8, 32% Elsevier 8 publications, 32%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 4, 16% Royal Society of Chemistry (RSC) 4 publications, 16%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 3, 12% Multidisciplinary Digital Publishing Institute (MDPI) 3 publications, 12%
Pleiades Publishing	Pleiades Publishing, 2, 8% Pleiades Publishing 2 publications, 8%
IOP Publishing	IOP Publishing, 2, 8% IOP Publishing 2 publications, 8%
American Chemical Society (ACS)	American Chemical Society (ACS), 2, 8% American Chemical Society (ACS) 2 publications, 8%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 1, 4% American Institute of Physics (AIP) 1 publication, 4%
American Physical Society (APS)	American Physical Society (APS), 1, 4% American Physical Society (APS) 1 publication, 4%
National University of Science & Technology (MISiS)	National University of Science & Technology (MISiS), 1, 4% National University of Science & Technology (MISiS) 1 publication, 4%
Ivanovo State University of Chemistry and Technology	Ivanovo State University of Chemistry and Technology, 1, 4% Ivanovo State University of Chemistry and Technology 1 publication, 4%
	1 2 3 4 5 6 7 8

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Krasheninnikov A. V. et al. Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations // Journal of Physical Chemistry C. 2014. Vol. 118. No. 46. pp. 26894-26901.

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Krasheninnikov A. V., Berseneva N., Kvashnin D., Enkovaara J., Björkman T., Sorokin P. B., Shtansky D. V., NIEMINEN R. M., Golberg D. Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations // Journal of Physical Chemistry C. 2014. Vol. 118. No. 46. pp. 26894-26901.

RIS |

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TY - JOUR

DO - 10.1021/jp509505j

UR - https://doi.org/10.1021%2Fjp509505j

TI - Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations

T2 - Journal of Physical Chemistry C

AU - Enkovaara, Jussi

AU - NIEMINEN, Risto M

AU - Berseneva, Natalia

AU - Krasheninnikov, Arkady V.

AU - Kvashnin, Dmitry

AU - Björkman, Torbjörn

AU - Sorokin, Pavel B.

AU - Shtansky, Dmitry V.

AU - Golberg, Dmitri

PY - 2014

DA - 2014/11/10 00:00:00

PB - American Chemical Society (ACS)

SP - 26894-26901

IS - 46

VL - 118

SN - 1932-7447

SN - 1932-7455

ER -

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@article{2014_Krasheninnikov,

author = {Jussi Enkovaara and Risto M NIEMINEN and Natalia Berseneva and Arkady V. Krasheninnikov and Dmitry Kvashnin and Torbjörn Björkman and Pavel B. Sorokin and Dmitry V. Shtansky and Dmitri Golberg},

title = {Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations},

journal = {Journal of Physical Chemistry C},

year = {2014},

volume = {118},

publisher = {American Chemical Society (ACS)},

month = {nov},

url = {https://doi.org/10.1021%2Fjp509505j},

number = {46},

pages = {26894--26901},

doi = {10.1021/jp509505j}

}

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Krasheninnikov, Arkady V., et al. “Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations.” Journal of Physical Chemistry C, vol. 118, no. 46, Nov. 2014, pp. 26894-26901. https://doi.org/10.1021%2Fjp509505j.

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Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry C

Quartile SCImago

Quartile WOS

Impact factor

3.7

ISSN

19327447 (Print)
19327455 (Electronic)

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