Nano Letters

, volume 16 , issue 7 , pages 4236-4242

Nanotwinned Boron Suboxide (B₆O): New Ground State of B₆O

Qi An ¹

K Madhav Reddy ²

Huafeng Dong ³

Mingwei Chen ²

A. R. Oganov ^{3, 4, 5, 6}

William A. III Goddard ¹

Hide authors affiliations Show authors affiliations: 6 affiliations

Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States |

WPI advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan |

Department of Geosciences and Center for Materials by Design, Institute for Advanced Computational Science, State University of New York, Stony Brook, New York 11794-2100, United States |

⁴

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel St., Moscow 143026, Russia |

⁵

Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny City, Moscow Region 141700, Russian Federation |

⁶

International Center for Materials Discovery, Northwestern Polytechnical University, Xi’an, 710072, China |

Publication type: Journal Article

Publication date: 2016-06-08

American Chemical Society (ACS)

Nano Letters

scimago Q1

wos Q1

SJR: 2.967

CiteScore: 14.9

Impact factor: 9.1

ISSN: 15306984, 15306992

DOI: 10.1021/acs.nanolett.6b01204

Copy DOI

PubMed ID: 27253270

General Chemistry

Condensed Matter Physics

General Materials Science

Mechanical Engineering

Bioengineering

Abstract

Nanotwinned structures in superhard ceramics rhombohedral boron suboxide (R-B6O) have been examined using a combination of transmission electron microscopy (TEM) and quantum mechanics (QM). QM predicts negative relative energies to R-B6O for various twinned R-B6O (denoted as τ-B6O, 2τ-B6O, and 4τ-B6O), consistent with the recently predicted B6O structure with Cmcm space group (τ-B6O) which has an energy 1.1 meV/B6O lower than R-B6O. We report here TEM observations of this τ-B6O structure, confirming the QM predictions. QM studies under pure shear deformation and indentation conditions are used to determine the deformation mechanisms of the new τ-B6O phase which are compared to R-B6O and 2τ-B6O. The lowest stress slip system of τ-B6O is (010)/⟨001⟩ which transforms τ-B6O to R-B6O under pure shear deformation. However, under indentation conditions, the lowest stress slip system changes to (001)/⟨110⟩, leading to icosahedra disintegration and hence amorphous band formation.

Found

2 citations

Oganov Artem

🥼 🤝

DSc in Chemistry, professor, professor of the Russian Academy of Sciences

408 publications, 32 233 citations, 96 reviews

h-index: 86

Skolkovo Institute of Science and Technology

1 citation

Perevislov Sergey

🥼

DSc in Engineering, professor

109 publications, 1 236 citations

h-index: 22

I. V. Grebenshchikov Institute of Silicate Chemistry of NRC «Kurchatov Institute»

Central Research Institute of Structural Materials Prometey of NRC «Kurchatov Institute»

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An Q. et al. Nanotwinned Boron Suboxide (B6O): New Ground State of B6O // Nano Letters. 2016. Vol. 16. No. 7. pp. 4236-4242.

GOST all authors (up to 50) Copy

An Q., Reddy K. M., Dong H., Chen M., Oganov A. R., Goddard W. A. I. Nanotwinned Boron Suboxide (B6O): New Ground State of B6O // Nano Letters. 2016. Vol. 16. No. 7. pp. 4236-4242.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.nanolett.6b01204

UR - https://doi.org/10.1021/acs.nanolett.6b01204

TI - Nanotwinned Boron Suboxide (B6O): New Ground State of B6O

T2 - Nano Letters

AU - An, Qi

AU - Reddy, K Madhav

AU - Dong, Huafeng

AU - Chen, Mingwei

AU - Oganov, A. R.

AU - Goddard, William A. III

PY - 2016

DA - 2016/06/08

PB - American Chemical Society (ACS)

SP - 4236-4242

IS - 7

VL - 16

PMID - 27253270

SN - 1530-6984

SN - 1530-6992

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2016_An,

author = {Qi An and K Madhav Reddy and Huafeng Dong and Mingwei Chen and A. R. Oganov and William A. III Goddard},

title = {Nanotwinned Boron Suboxide (B6O): New Ground State of B6O},

journal = {Nano Letters},

year = {2016},

volume = {16},

publisher = {American Chemical Society (ACS)},

month = {jun},

url = {https://doi.org/10.1021/acs.nanolett.6b01204},

number = {7},

pages = {4236--4242},

doi = {10.1021/acs.nanolett.6b01204}

}

MLA

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MLA Copy

An, Qi, et al. “Nanotwinned Boron Suboxide (B6O): New Ground State of B6O.” Nano Letters, vol. 16, no. 7, Jun. 2016, pp. 4236-4242. https://doi.org/10.1021/acs.nanolett.6b01204.