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Title: Emerging operando and x-ray pair distribution function methods for energy materials development

Journal Article · · MRS Bulletin
DOI:https://doi.org/10.1557/mrs.2016.26· OSTI ID:1336255

Our energy needs drive widespread materials research. Advances in materials characterization are critical to this research effort. Using new characterization tools that allow us to probe the atomic structure of energy materials in situ as they operate, we can identify how their structure is linked to their functional properties and performance. These fundamental insights serve as a roadmap to enhance performance in the next generation of advanced materials. In the last decade, developments in synchrotron instrumentation have made the pair distribution function (PDF) method and operando x-ray studies more readily accessible tools capable of providing valuable insights into complex materials systems. Here, the emergence of the PDF method as a versatile structure characterization tool and the further enhancement of this method through developments in operando capabilities and multivariate data analytics are described. These advances in materials characterization are demonstrated by several highlighted studies focused on energy storage in batteries.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Northeastern Center for Chemical Energy Storage (NECCES)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
AC02-06CH11357; SC0001294
OSTI ID:
1336255
Journal Information:
MRS Bulletin, Vol. 41, Issue 03; ISSN 0883-7694
Publisher:
Materials Research Society
Country of Publication:
United States
Language:
English

References (19)

Applications of principal component analysis to pair distribution function data journal October 2015
Origin of additional capacities in metal oxide lithium-ion battery electrodes journal November 2013
Short- and Long-Range Order in the Positive Electrode Material, Li(NiMn) 0.5 O 2 :  A Joint X-ray and Neutron Diffraction, Pair Distribution Function Analysis and NMR Study journal May 2005
Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO 4 -Electrodes in a Standard Coin Cell Battery journal March 2015
Mesoscale Effects in Electrochemical Conversion: Coupling of Chemistry to Atomic- and Nanoscale Structure in Iron-Based Electrodes journal April 2014
Rate-Induced Solubility and Suppression of the First-Order Phase Transition in Olivine LiFePO 4 journal April 2014
Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping journal August 2014
Capturing metastable structures during high-rate cycling of LiFePO4 nanoparticle electrodes journal June 2014
The AMPIX electrochemical cell: a versatile apparatus for in situ X-ray scattering and spectroscopic measurements journal November 2012
Microwave-assisted synthesis and electrochemical evaluation of VO2 (B) nanostructures
  • Ashton, Thomas E.; Hevia Borrás, David; Iadecola, Antonella
  • Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 71, Issue 6, p. 722-726 https://doi.org/10.1107/S2052520615021289
journal December 2015
Comprehensive Study of the CuF 2 Conversion Reaction Mechanism in a Lithium Ion Battery journal July 2014
X‐Ray Diffraction Study of Liquid Sodium journal April 1936
Best Practices for Operando Battery Experiments: Influences of X-ray Experiment Design on Observed Electrochemical Reactivity journal May 2015
The nature of the nonframework aluminum species formed during the dehydroxylation of H-Y journal October 1985
Comprehensive Insights into the Structural and Chemical Changes in Mixed-Anion FeOF Electrodes by Using Operando PDF and NMR Spectroscopy
  • Wiaderek, Kamila M.; Borkiewicz, Olaf J.; Castillo-Martínez, Elizabeth
  • Journal of the American Chemical Society, Vol. 135, Issue 10 https://doi.org/10.1021/ja400229v
journal March 2013
Solvation structure and energetics of electrolytes for multivalent energy storage journal January 2014
Identifying the Structure of the Intermediate, Li 2/3 CoPO 4 , Formed during Electrochemical Cycling of LiCoPO 4 journal October 2014
The interpretation of diffuse X-ray diagrams of carbon journal March 1950
Rapid-acquisition pair distribution function (RA-PDF) analysis journal November 2003