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Title: Fe–Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/C8CP01962B · OSTI ID:1440996
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [2]; ORCiD logo [3];  [4];  [5];  [6]
  1. Univ. of Science and Technology of China, Hefei (China); Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States)
  3. Xiamen Univ., Xiamen (China)
  4. Univ. of Science and Technology of China, Hefei (China)
  5. Ames Laboratory; US DOE; Ames; USA
  6. Univ. of Science and Technology of China, Hefei (China); Iowa State Univ., Ames, IA (United States)
+ Show Author Affiliations

Here, structural phase transitions of electrode materials are responsible for poor reversibility during charge/discharge cycling in Li-ion batteries.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1440996
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 21 Vol. 20; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

References (29)

Electrochemical performance of Li2FeSiO4 as a new Li-battery cathode material journal February 2005
Insights into electrochemical performance of Li2FeSiO4 from first-principles calculations journal November 2013
Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode journal September 2016
Tuning structural stability and lithium-storage properties by d -orbital hybridization substitution in full tetrahedron Li 2 FeSiO 4 nanocrystal journal February 2016
Microwave-Solvothermal Synthesis of Nanostructured Li 2 MSiO 4 /C (M = Mn and Fe) Cathodes for Lithium-Ion Batteries journal October 2010
Crystal Structure, Energetics, And Electrochemistry of Li 2 FeSiO 4 Polymorphs from First Principles Calculations journal December 2011
Insights into Changes in Voltage and Structure of Li 2 FeSiO 4 Polymorphs for Lithium-Ion Batteries journal May 2012
Understanding the High Capacity of Li 2 FeSiO 4 : In Situ XRD/XANES Study Combined with First-Principles Calculations journal May 2013
Dependence of Li 2 FeSiO 4 Electrochemistry on Structure journal February 2011
Structure and Lithium Transport Pathways in Li 2 FeSiO 4 Cathodes for Lithium Batteries journal August 2011
Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction journal April 2020
Lead palladium titanate: A room temperature nanoscale multiferroic thin film journal February 2020
Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme journal October 2015
The lithium extraction/insertion mechanism in Li 2 FeSiO 4 journal January 2006
Site-exchange of Li and M ions in silicate cathode materials Li 2 MSiO 4 (M = Mn, Fe, Co and Ni): DFT calculations journal January 2014
Advances in high-capacity Li 2 MSiO 4 (M = Mn, Fe, Co, Ni, …) cathode materials for lithium-ion batteries journal January 2015
Fe–Si networks in Na 2 FeSiO 4 cathode materials journal January 2016
A scheme for the generation of Fe–P networks to search for low-energy LiFePO 4 crystal structures journal January 2017
Recent advances in the research of polyanion-type cathode materials for Li-ion batteries journal January 2011
A novel Li2FeSiO4/C composite: Synthesis, characterization and high storage capacity journal January 2011
Structural properties and energetics of Li2FeSiO4 polymorphs and their delithiated products from first-principles journal January 2012
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
Polymorphism and phase transformations of Li 2 − x FeSiO 4 ( 0 ⩽ x ⩽ 2 ) from first principles journal December 2011
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VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
Synthesis Method of the Li-Ion Battery Cathode Material Li2FeSiO4 Using a Molten Carbonate Flux journal January 2011

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