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Title: Topological defect dynamics in operando battery nanoparticles

Abstract

Topological defects can markedly alter nanomaterial properties. This presents opportunities for "defect engineering," where desired functionalities are generated through defect manipulation. However, imaging defects in working devices with nanoscale resolution remains elusive. We report three-dimensional imaging of dislocation dynamics in individual battery cathode nanoparticles under operando conditions using Bragg coherent diffractive imaging. Dislocations are static at room temperature and mobile during charge transport. During the structural phase transformation, the lithium-rich phase nucleates near the dislocation and spreads inhomogeneously. The dislocation field is a local probe of elastic properties, and we find that a region of the material exhibits a negative Poisson's ratio at high voltage. Operando dislocation imaging thus opens a powerful avenue for facilitating improvement and rational design of nanostructured materials.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Northeastern Center for Chemical Energy Storage (NECCES); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1391962
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Science
Additional Journal Information:
Journal Volume: 348; Journal Issue: 6241; Journal ID: ISSN 0036-8075
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 25 ENERGY STORAGE

Citation Formats

Ulvestad, A., Singer, A., Clark, J. N., Cho, H. M., Kim, J. W., Harder, R., Maser, J., Meng, Y. S., and Shpyrko, O. G. Topological defect dynamics in operando battery nanoparticles. United States: N. p., 2015. Web. doi:10.1126/science.aaa1313.
Ulvestad, A., Singer, A., Clark, J. N., Cho, H. M., Kim, J. W., Harder, R., Maser, J., Meng, Y. S., & Shpyrko, O. G. Topological defect dynamics in operando battery nanoparticles. United States. https://doi.org/10.1126/science.aaa1313
Ulvestad, A., Singer, A., Clark, J. N., Cho, H. M., Kim, J. W., Harder, R., Maser, J., Meng, Y. S., and Shpyrko, O. G. Thu . "Topological defect dynamics in operando battery nanoparticles". United States. https://doi.org/10.1126/science.aaa1313.
@article{osti_1391962,
title = {Topological defect dynamics in operando battery nanoparticles},
author = {Ulvestad, A. and Singer, A. and Clark, J. N. and Cho, H. M. and Kim, J. W. and Harder, R. and Maser, J. and Meng, Y. S. and Shpyrko, O. G.},
abstractNote = {Topological defects can markedly alter nanomaterial properties. This presents opportunities for "defect engineering," where desired functionalities are generated through defect manipulation. However, imaging defects in working devices with nanoscale resolution remains elusive. We report three-dimensional imaging of dislocation dynamics in individual battery cathode nanoparticles under operando conditions using Bragg coherent diffractive imaging. Dislocations are static at room temperature and mobile during charge transport. During the structural phase transformation, the lithium-rich phase nucleates near the dislocation and spreads inhomogeneously. The dislocation field is a local probe of elastic properties, and we find that a region of the material exhibits a negative Poisson's ratio at high voltage. Operando dislocation imaging thus opens a powerful avenue for facilitating improvement and rational design of nanostructured materials.},
doi = {10.1126/science.aaa1313},
url = {https://www.osti.gov/biblio/1391962}, journal = {Science},
issn = {0036-8075},
number = 6241,
volume = 348,
place = {United States},
year = {2015},
month = {6}
}

Works referenced in this record:

Molecular Dynamics Simulations of SOC-Dependent Elasticity of Li x Mn 2 O 4 Spinels in Li-Ion Batteries
journal, January 2013


Poisson's ratio and modern materials
journal, October 2011


Lithium Batteries and Cathode Materials
journal, October 2004


Issues and challenges facing rechargeable lithium batteries
journal, November 2001


Synchrotron x-ray reticulography: principles and applications
journal, January 1999


Three-Dimensional Imaging of Microstructure in Au Nanocrystals
journal, April 2003


Nucleation on dislocations
journal, November 1970


A study of room-temperature LixMn1.5Ni0.5O4 solid solutions
journal, January 2015


Quantitative phase contrast tomography using coherent synchrotron radiation
conference, January 2002


Measurement of the displacement field of dislocations to 0.03 Å by electron microscopy
journal, May 2003


Numerical Simulation of Intercalation-Induced Stress in Li-Ion Battery Electrode Particles
journal, January 2007


High-resolution three-dimensional partially coherent diffraction imaging
journal, January 2012


Rational Defect Introduction in Silicon Nanowires
journal, April 2013


Phase transformations and volume changes in spinel LixMn2O4
journal, November 2000


Direct Observation of Individual Dislocations by X‐Ray Diffraction
journal, March 1958


Coherent diffraction imaging of nanoscale strain evolution in a single crystal under high pressure
journal, April 2013


Nanoconfinement effects in energy storage materials
journal, January 2011


Capturing metastable structures during high-rate cycling of LiFePO4 nanoparticle electrodes
journal, June 2014


Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping
journal, August 2014


Ultrafast Three-Dimensional Imaging of Lattice Dynamics in Individual Gold Nanocrystals
journal, May 2013


Nonequilibrium Structural Dynamics of Nanoparticles in LiNi 1/2 Mn 3/2 O 4 Cathode under Operando Conditions
journal, August 2014


Longitudinal coherence function in X-ray imaging of crystals
journal, January 2009


Charge Density Wave Dislocation as Revealed by Coherent X-Ray Diffraction
journal, September 2005


Dislocation Based Stress Developments in Lithium-Ion Batteries
journal, January 2012


A Mathematical Model of Stress Generation and Fracture in Lithium Manganese Oxide
journal, January 2006


Effect of Ni/Mn Ordering on Elementary Polarizations of LiNi 0.5 Mn 1.5 O 4 Spinel and Its Nanostructured Electrode
journal, January 2013


Molecular Auxetic Behavior of Epitaxial Co-Ferrite Spinel Thin Film
journal, February 2010


Graphene gets designer defects
journal, May 2010


Nanoscale strain mapping in battery nanostructures
journal, February 2014