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Title: Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

Abstract

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. The relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of themore » Si/Ge core/shell nanowire heterostructure.« less

Authors:
 [1];  [1];  [2];  [1]; ORCiD logo [1];  [2]; ORCiD logo [1]
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  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Indiana Univ., Bloomington, IN (United States). Dept. of Physics
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1345930
Report Number(s):
LA-UR-16-23503
Journal ID: ISSN 2040-3364
Grant/Contract Number:  
AC52-06NA25396; AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 9; Journal Issue: 3; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Material Science

Citation Formats

Lin, Yung-Chen, Kim, Dongheun, Li, Zhen, Nguyen, Binh-Minh, Li, Nan, Zhang, Shixiong, and Yoo, Jinkyoung. Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures. United States: N. p., 2016. Web. doi:10.1039/C6NR07681E.
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Lin, Yung-Chen, Kim, Dongheun, Li, Zhen, Nguyen, Binh-Minh, Li, Nan, Zhang, Shixiong, & Yoo, Jinkyoung. Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures. United States. https://doi.org/10.1039/C6NR07681E
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Lin, Yung-Chen, Kim, Dongheun, Li, Zhen, Nguyen, Binh-Minh, Li, Nan, Zhang, Shixiong, and Yoo, Jinkyoung. Wed . "Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures". United States. https://doi.org/10.1039/C6NR07681E. https://www.osti.gov/servlets/purl/1345930.
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@article{osti_1345930,
title = {Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures},
author = {Lin, Yung-Chen and Kim, Dongheun and Li, Zhen and Nguyen, Binh-Minh and Li, Nan and Zhang, Shixiong and Yoo, Jinkyoung},
abstractNote = {Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. The relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.},
doi = {10.1039/C6NR07681E},
journal = {Nanoscale},
number = 3,
volume = 9,
place = {United States},
year = {Wed Dec 14 00:00:00 EST 2016},
month = {Wed Dec 14 00:00:00 EST 2016}
}
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https://doi.org/10.1039/C6NR07681E
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    Structural Strategies for Germanium‐Based Anode Materials to Enhance Lithium Storage
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    Degradation of Si/Ge core/shell nanowire heterostructures during lithiation and delithiation at 0.8 and 20 A g −1
    journal, January 2018

    • Kim, Dongheun; Li, Nan; Sheehan, Chris J.
    • Nanoscale, Vol. 10, Issue 16
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    A review on silicon nanowire-based anodes for next-generation high-performance lithium-ion batteries from a material-based perspective
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    • Sustainable Energy & Fuels, Vol. 4, Issue 4
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