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Title: In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures

Abstract

In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1340852
Report Number(s):
PNNL-SA-115171
Journal ID: ISSN 2045-2322; 48379; KP1704020
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Scientific Reports; Journal Volume: 6
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory

Citation Formats

Shen, Chenfei, Ge, Mingyuan, Luo, Langli, Fang, Xin, Liu, Yihang, Zhang, Anyi, Rong, Jiepeng, Wang, Chongmin, and Zhou, Chongwu. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures. United States: N. p., 2016. Web. doi:10.1038/srep31334.
Shen, Chenfei, Ge, Mingyuan, Luo, Langli, Fang, Xin, Liu, Yihang, Zhang, Anyi, Rong, Jiepeng, Wang, Chongmin, & Zhou, Chongwu. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures. United States. doi:10.1038/srep31334.
Shen, Chenfei, Ge, Mingyuan, Luo, Langli, Fang, Xin, Liu, Yihang, Zhang, Anyi, Rong, Jiepeng, Wang, Chongmin, and Zhou, Chongwu. Tue . "In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures". United States. doi:10.1038/srep31334.
@article{osti_1340852,
title = {In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures},
author = {Shen, Chenfei and Ge, Mingyuan and Luo, Langli and Fang, Xin and Liu, Yihang and Zhang, Anyi and Rong, Jiepeng and Wang, Chongmin and Zhou, Chongwu},
abstractNote = {In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires.},
doi = {10.1038/srep31334},
journal = {Scientific Reports},
number = ,
volume = 6,
place = {United States},
year = {Tue Aug 30 00:00:00 EDT 2016},
month = {Tue Aug 30 00:00:00 EDT 2016}
}