Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface
Тип публикации: Journal Article
Дата публикации: 2016-10-13
scimago Q1
wos Q1
БС1
SJR: 1.245
CiteScore: 9.9
Impact factor: 5.1
ISSN: 20403364, 20403372
PubMed ID:
27786331
General Materials Science
Краткое описание
Oxidation of silicon nanoclusters depending on the temperature and oxygen pressure is explored from first principles using the evolutionary algorithm, and structural and thermodynamic analysis. From our calculations of 90 SinOm clusters we found that under normal conditions oxidation does not stop at the stoichiometric SiO2 composition, as it does in bulk silicon, but goes further placing extra oxygen atoms on the cluster surface. These extra atoms are responsible for light emission, relevant to reactive oxygen species and many of them are magnetic. We argue that the super-oxidation effect is size-independent and discuss its relevance to nanotechnology and miscellaneous applications, including biomedical ones.
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Lepeshkin S. et al. Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface // Nanoscale. 2016. Vol. 8. No. 44. pp. 18616-18620.
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Lepeshkin S., Baturin V. S., Tikhonov E., Matsko N., Uspenskii Y., Naumova A. S., Feya O., Schoonen M. A., Oganov A. R. Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface // Nanoscale. 2016. Vol. 8. No. 44. pp. 18616-18620.
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TY - JOUR
DO - 10.1039/c6nr07504e
UR - https://doi.org/10.1039/c6nr07504e
TI - Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface
T2 - Nanoscale
AU - Lepeshkin, Stepan
AU - Baturin, V S
AU - Tikhonov, Evgeny
AU - Matsko, Nikita
AU - Uspenskii, Yurii
AU - Naumova, Anastasia S
AU - Feya, Oleg
AU - Schoonen, Martin A
AU - Oganov, A. R.
PY - 2016
DA - 2016/10/13
PB - Royal Society of Chemistry (RSC)
SP - 18616-18620
IS - 44
VL - 8
PMID - 27786331
SN - 2040-3364
SN - 2040-3372
ER -
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@article{2016_Lepeshkin,
author = {Stepan Lepeshkin and V S Baturin and Evgeny Tikhonov and Nikita Matsko and Yurii Uspenskii and Anastasia S Naumova and Oleg Feya and Martin A Schoonen and A. R. Oganov},
title = {Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface},
journal = {Nanoscale},
year = {2016},
volume = {8},
publisher = {Royal Society of Chemistry (RSC)},
month = {oct},
url = {https://doi.org/10.1039/c6nr07504e},
number = {44},
pages = {18616--18620},
doi = {10.1039/c6nr07504e}
}
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Lepeshkin, Stepan, et al. “Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface.” Nanoscale, vol. 8, no. 44, Oct. 2016, pp. 18616-18620. https://doi.org/10.1039/c6nr07504e.
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