Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ

Manthiram, Arumugam; Huq, Ashfia; Kan, Wang Hay; Lai, Ke -Yu

doi:10.1016/j.jpowsour.2016.01.017

Title: Unravelling the low thermal expansion coefficient of cation-substituted YBaCo₄O_7+δ

Abstract

With an aim to understand the origin of the low thermal expansion coefficients (TECs), cation substituted YBaCo₄O₇-type oxides have been investigated by in-situ neutron diffraction, bond valence sum (BVS), thermogravimetric analysis, and dilatometry. The compositions YBaCo₄O_7+δ, Y_0.9ln_0.1BaCo₃ZnO_7+δ, and Y_0.9ln_0.1BaCo₃Zn_0.6Fe_0.4O_7+δ) were synthesized by solid-state reaction at 1200 °C. Here, Rietveld refinement of the joint synchrotron X-ray and neutron diffraction data shows that the Zn and Fe dopants have different preferences to substitute the Co ions in the 6c and 2a sites.

Authors:

Manthiram, Arumugam ^[1]; Huq, Ashfia ^[2]; Kan, Wang Hay ^[1]; Lai, Ke -Yu ^[1]

Univ. of Texas, Austin, TX (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Tue Jan 12 00:00:00 EST 2016

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1261519

Alternate Identifier(s):: OSTI ID: 1341175

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Power Sources

Additional Journal Information:: Journal Volume: 307; Journal Issue: C; Journal ID: ISSN 0378-7753

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; cation-substituted YBaCo4O7; neutron diffraction; thermal expansion coefficient

Citation Formats


                    Manthiram, Arumugam, Huq, Ashfia, Kan, Wang Hay, and Lai, Ke -Yu. Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ.  United States: N. p., 2016. 
Web.  doi:10.1016/j.jpowsour.2016.01.017.

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                    Manthiram, Arumugam, Huq, Ashfia, Kan, Wang Hay, & Lai, Ke -Yu. Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ.  United States.  https://doi.org/10.1016/j.jpowsour.2016.01.017

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                    Manthiram, Arumugam, Huq, Ashfia, Kan, Wang Hay, and Lai, Ke -Yu. Tue .  
"Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ".  United States.  https://doi.org/10.1016/j.jpowsour.2016.01.017.  https://www.osti.gov/servlets/purl/1261519.

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@article{osti_1261519,

  title        = {Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ},

  author       = {Manthiram, Arumugam and Huq, Ashfia and Kan, Wang Hay and Lai, Ke -Yu},

  abstractNote = {With an aim to understand the origin of the low thermal expansion coefficients (TECs), cation substituted YBaCo4O7-type oxides have been investigated by in-situ neutron diffraction, bond valence sum (BVS), thermogravimetric analysis, and dilatometry. The compositions YBaCo4O7+δ, Y0.9ln0.1BaCo3ZnO7+δ, and Y0.9ln0.1BaCo3Zn0.6Fe0.4O7+δ) were synthesized by solid-state reaction at 1200 °C. Here, Rietveld refinement of the joint synchrotron X-ray and neutron diffraction data shows that the Zn and Fe dopants have different preferences to substitute the Co ions in the 6c and 2a sites.},

  doi          = {10.1016/j.jpowsour.2016.01.017},

  journal      = {Journal of Power Sources},

  number       = C,

  volume       = 307,

  place        = {United States},

  year         = {Tue Jan 12 00:00:00 EST 2016},

  month        = {Tue Jan 12 00:00:00 EST 2016}

}

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Title: Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+δ

Abstract

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Ferrite-based perovskites as cathode materials for anode-supported solid oxide fuel cells journal, May 2005

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li 1.3 Ta 0.3 Mn 0.4 O 2 Cathode journal, February 2019

AGES: Automated Gas Environment System for in situ neutron powder diffraction journal, September 2018

Effects of trivalent dopants on phase stability and catalytic activity of YBaCo 4 O 7 -based cathodes in solid oxide fuel cells journal, January 2018

Title: Unravelling the low thermal expansion coefficient of cation-substituted YBaCo₄O_7+δ

Challenges and prospects of anodes for solid oxide fuel cells (SOFCs)
journal, December 2014

Advanced anodes for high-temperature fuel cells
journal, January 2004

Advances in solid oxide fuel cell technology
journal, November 2000

Evaluation of La–Sr–Co–Fe–O perovskites for solid oxide fuel cells and gas separation membranes
journal, November 2000

Oxygen Stoichiometry and Chemical Expansion of Ba _0.5 Sr _0.5 Co _0.8 Fe _0.2 O ₃ _- _δ Measured by in Situ Neutron Diffraction
journal, April 2006

Evaluation of yttrium-doped SrTiO₃ as an anode for solid oxide fuel cells
journal, September 2002

Extruded Tubular Strontium- and Magnesium-Doped Lanthanum Gallate, Gadolinium-Doped Ceria, and Yttria-Stabilized Zirconia Electrolytes
journal, January 2003

Fast performance degradation of SOFC caused by cathode delamination in long-term testing
journal, August 2010

Transport properties and electrochemical activity of YBa(Co,Fe)4O7 cathodes
journal, October 2006

Studies on Polymorphic Sequence during the Formation of the 1:1 Ordered Perovskite-Type BaCa _0.335 M _0.165 Nb _0.5 O _3-δ (M = Mn, Fe, Co) Using in Situ and ex Situ Powder X-ray Diffraction
journal, September 2014

Effect of substitution of B-sites by Mn, Fe and Co in double perovskite-type Ba3CaNb2O9 on structure and electrical properties
journal, January 2013

Syntheses and structures of compounds with YBaCo4O7-type structure
journal, March 2004

Effects of In substitution in Y1−In BaCo3ZnO7+ (0 ≤ x ≤ 0.5) cathodes for intermediate temperature solid oxide fuel cells
journal, December 2014

Improved phase stability and electrochemical performance of (Y,In,Ca)BaCo 3 ZnO 7+δ cathodes for intermediate temperature solid oxide fuel cells
journal, November 2014

Electrochemical characterisation of MBaCo3ZnO7+δ (M=Y, Er, Tb) as SOFC cathode material with low thermal expansion coefficient
journal, February 2010

Electrochemical characterization of YBaCo3ZnO7+Gd0.2Ce0.8O1.9 composite cathodes for intermediate temperature solid oxide fuel cells
journal, July 2010

Low Thermal Expansion RBa(Co,M) ₄ O ₇ Cathode Materials Based on Tetrahedral-Site Cobalt Ions for Solid Oxide Fuel Cells ^†
journal, February 2010

(Y0.5In0.5)Ba(Co,Zn)4O7 cathodes with superior high-temperature phase stability for solid oxide fuel cells
journal, September 2012

Characterization of (Y1-xCax)BaCo4-yZnyO7 as cathodes for intermediate temperature solid oxide fuel cells
journal, November 2011

The YBaCo ₄ O ₇₊ _δ -Based Functional Oxide Material Family: A Review : The YBaCo
journal, August 2014

Electrodeposited Aluminum-Doped α-Fe ₂ O ₃ Photoelectrodes: Experiment and Theory
journal, January 2010

Doping of WO ₃ for Photocatalytic Water Splitting: Hints from Density Functional Theory
journal, April 2012

The relationship between bond ionicity, lattice energy, coefficient of thermal expansion and microwave dielectric properties of Nd(Nb _1−x Sb _x )O ₄ ceramics
journal, January 2015

EXPGUI , a graphical user interface for GSAS
journal, April 2001

VALENCE: a program for calculating bond valences
journal, August 1996

3DBVSMAPPER : a program for automatically generating bond-valence sum landscapes
journal, August 2012

The structure of the new compound YBaCo4O7 with a magnetic feature
journal, June 2002

Zur Kenntnis eines Barium-Lanthanoid-Aluminat-Zinkats: BaLuAlZn ₃ O ₇ mit einem Anhang zu Ba ₂ Er ₂ Zn ₈ O ₁₃ /On a Barium Rare Earth Aluminate Zincate: BaLuAlZn ₃ O ₇ with a Note on Ba ₂ Er ₂ Zn ₈ O ₁₃
journal, March 1996

Röntgenstrukturanalyse von zwei Verbindungen des Kupfertyps BaMLn ₂ O5 (M = Zn, Ln = Sm, Tm) und von BaSmAIZn ₃ O ₇ / X-Ray Analysis of Two Compounds of the Copper Type BaMLn ₂ O ₅ (M=Zn, Ln=Sm, Tm) and of BaSmAlZn ₃ O ₇
journal, April 1997

Oxygen Stoichiometry in the Geometrically Frustrated Kagomé System YBaCo ₄ O _7+δ : Impact on Phase Behavior and Magnetism
journal, October 2013

Structural and magnetic properties of the Kagomé antiferromagnet YbBaCo4O7
journal, April 2006

Neutron scattering lengths and cross sections
journal, January 1992

Structure and electrical properties of La1 − xSrxCo1 − yFeyO3. Part 2. The system La1 − xSrxCo0.2Fe0.8O3
journal, March 1995

Oxygen Storage Capacity and Phase Stability of Variously Substituted YBaCo ₄ O _7+δ
journal, February 2013

Oxygen Ordering and Mobility in YBaCo ₄ O _7+δ
journal, April 2009

Electroceramics: Characterization by Impedance Spectroscopy
journal, March 1990

Determination of Fe oxidation states in the B-site ordered perovskite-type Ba2Ca0.67Fe0.33NbO6−δ at the surface (nano-scale) and bulk by variable temperature XPS and TGA and their impact on electrochemical catalysis
journal, January 2014

Ferrite-based perovskites as cathode materials for anode-supported solid oxide fuel cells
journal, May 2005

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li _1.3 Ta _0.3 Mn _0.4 O ₂ Cathode
journal, February 2019

AGES: Automated Gas Environment System for in situ neutron powder diffraction
journal, September 2018

Effects of trivalent dopants on phase stability and catalytic activity of YBaCo ₄ O ₇ -based cathodes in solid oxide fuel cells
journal, January 2018