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  High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion

Wippermann, S. M., Vörös, M., Rocca, D., Gali, A., Zimanyi, G. T., & Galli, G. (2013). High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion. Physical Review Letters, 110(4): 046804. doi:10.1103/PhysRevLett.110.046804.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-C15E-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-C15F-3
Genre: Journal Article

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 Creators:
Wippermann, Stefan Martin1, 2, Author              
Vörös, Márton3, Author              
Rocca, Dario4, Author              
Gali, Adam3, 5, Author              
Zimanyi, Gergely T.6, Author              
Galli, Giulia1, 6, Author              
Affiliations:
1Chemistry Department, University of California, Davis, Davis CA 95616, USA, ou_persistent22              
2Physics Department, University of California, Davis, Davis CA 95616, USA, ou_persistent22              
3Department of Atomic Physics, Budapest University of Technology and Economics, Budafoki út 8., H-1111 Budapest, Hungary, ou_persistent22              
4Department of Chemistry, University of California, Davis, CA 95616, USA, ou_persistent22              
5Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest, Hungary, ou_persistent22              
6Physics Department, University of California, Davis, CA 95616, USA, ou_persistent22              

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Free keywords: Amorphous regions; Amorphous Si; Black silicon; Core structure; Density functionals; Diamond-like; Excitonic effect; Many body perturbation theory; Multiple exciton; Optical gap; Si nanoparticles; Si-particle
 Abstract: We present density functional and many body perturbation theory calculations of the electronic, optical, and impact ionization properties of Si nanoparticles (NPs) with core structures based on high-pressure bulk Si phases. Si particles with a BC8 core structure exhibit significantly lower optical gaps and multiple exciton generation (MEG) thresholds, and an order of magnitude higher MEG rate than diamondlike ones of the same size. Several mechanisms are discussed to further reduce the gap, including surface reconstruction and chemistry, excitonic effects, and embedding pressure. Experiments reported the formation of BC8 NPs embedded in amorphous Si and in amorphous regions of femtosecond-laser doped "black silicon." For all these reasons, BC8 nanoparticles may be promising candidates for MEG-based solar energy conversion. DOI: 10.1103/PhysRevLett.110.046804

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Language(s): eng - English
 Dates: 2013-01-24
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Degree: -

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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 110 (4) Sequence Number: 046804 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1