том 16 издание 7 страницы 4236-4242

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

Тип публикацииJournal Article
Дата публикации2016-06-08
scimago Q1
wos Q1
БС1
SJR2.967
CiteScore14.9
Impact factor9.1
ISSN15306984, 15306992
General Chemistry
Condensed Matter Physics
General Materials Science
Mechanical Engineering
Bioengineering
Краткое описание
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.
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ГОСТ |
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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.
ГОСТ со всеми авторами (до 50) Скопировать
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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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 |
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BibTex (до 50 авторов) Скопировать
@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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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.