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Lepeshkin S, Baturin V, Tikhonov E, et al. Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface. Nanoscale. 2016;8(44):18616-18620doi: 10.1039/c6nr07504e.
Lepeshkin, S., Baturin, V., Tikhonov, E., Matsko, N., Uspenskii, Y., Naumova, A., Feya, O., Schoonen, M. A., & Oganov, A. R. (2016). Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface. Nanoscale, 8(44), 18616-18620. https://doi.org/10.1039/c6nr07504e
Lepeshkin, Sergey, et al. "Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface." Nanoscale vol. 8,44 (2016): 18616-18620. doi: https://doi.org/10.1039/c6nr07504e
Lepeshkin S, Baturin V, Tikhonov E, Matsko N, Uspenskii Y, Naumova A, Feya O, Schoonen MA, Oganov AR. Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface. Nanoscale. 2016 Nov 10;8(44):18616-18620. doi: 10.1039/c6nr07504e. PMID: 27786331.
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Nanoscale. 2016 Nov 10;8(44):18616-18620. doi: 10.1039/c6nr07504e.

Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface.

Nanoscale

Sergey Lepeshkin, Vladimir Baturin, Evgeny Tikhonov, Nikita Matsko, Yurii Uspenskii, Anastasia Naumova, Oleg Feya, Martin A Schoonen, Artem R Oganov

Affiliations

  1. P.N. Lebedev Physical Institute, Russian Academy of Sciences, 119991 Leninskii prosp. 53, Moscow, Russia. [email protected] and Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia.
  2. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia and Physics Department, Moscow State University, Leninskie Gory, Moscow 119991, Russia.
  3. P.N. Lebedev Physical Institute, Russian Academy of Sciences, 119991 Leninskii prosp. 53, Moscow, Russia. [email protected].
  4. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia and Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Nobel St. 3, Moscow 143026, Russia.
  5. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia.
  6. Brookhaven National Laboratory, Upton, NY 11793-5000, USA.
  7. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia and Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Nobel St. 3, Moscow 143026, Russia and Department of Geosciences and Center for Materials by Design, Stony Brook University, Stony Brook, NY 11794, USA and Northwestern Polytechnical University, Xi'an, Shaanxi 720072, PR China.

PMID: 27786331 DOI: 10.1039/c6nr07504e

Abstract

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 Si

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