Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3

Polfus, Jonathan M.; Yildiz, Bilge; Tuller, Harry L.

doi:10.1039/C8CP02443J

Title: Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO ₃

Abstract

Enhanced oxide ion diffusion by 3 to 5 orders of magnitude along grain boundary core in Sr-doped LaMnO ₃ .

Authors:

^[1]; Yildiz, Bilge ^[2]; Tuller, Harry L. ^[3]

SINTEF Industry, Sustainable Energy Technology, NO-0314 Oslo, Norway, Department of Materials Science and Engineering
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA, Department of Nuclear Science and Engineering, Massachusetts Institute of Technology
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA

Publication Date:: Mon Jan 01 00:00:00 EST 2018

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

OSTI Identifier:: 1459038

Grant/Contract Number:: SC0002633

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 20 Journal Issue: 28; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Polfus, Jonathan M., Yildiz, Bilge, and Tuller, Harry L. Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3.  United Kingdom: N. p., 2018. 
Web.  doi:10.1039/C8CP02443J.

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                    Polfus, Jonathan M., Yildiz, Bilge, & Tuller, Harry L. Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3.  United Kingdom.  https://doi.org/10.1039/C8CP02443J

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                    Polfus, Jonathan M., Yildiz, Bilge, and Tuller, Harry L. Mon .  
"Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3".  United Kingdom.  https://doi.org/10.1039/C8CP02443J.

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@article{osti_1459038,

  title        = {Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3},

  author       = {Polfus, Jonathan M. and Yildiz, Bilge and Tuller, Harry L.},

  abstractNote = {Enhanced oxide ion diffusion by 3 to 5 orders of magnitude along grain boundary core in Sr-doped LaMnO 3 .},

  doi          = {10.1039/C8CP02443J},

  journal      = {Physical Chemistry Chemical Physics. PCCP},

  number       = 28,

  volume       = 20,

  place        = {United Kingdom},

  year         = {Mon Jan 01 00:00:00 EST 2018},

  month        = {Mon Jan 01 00:00:00 EST 2018}

}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Measurement of oxygen transport in La0.8Sr0.2MnO3 perovskite grains
journal, March 2012

Fearn, S.; Rossiny, J. C. H.; Kilner, J. A.
Solid State Ionics, Vol. 211
DOI: 10.1016/j.ssi.2012.01.029

Observation of structural units at symmetric [001] tilt boundaries in SrTiO3
journal, January 1995

Browning, N. D.; Pennycook, S. J.; Chisholm, M. F.
Interface Science, Vol. 2, Issue 4
DOI: 10.1007/BF00222626

Oxygen tracer diffusion in donor doped barium titanate
journal, August 2011

Frömling, T.; Hou, J.; Preis, W.
Journal of Applied Physics, Vol. 110, Issue 4
DOI: 10.1063/1.3626054

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Ion conduction and redistribution at grain boundaries in oxide systems
journal, August 2017

Gregori, Giuliano; Merkle, Rotraut; Maier, Joachim
Progress in Materials Science, Vol. 89
DOI: 10.1016/j.pmatsci.2017.04.009

Defect Chemistry of (La,Sr)MnO3
journal, January 1998

Nowotny, Janusz; Rekas, Mieczyslaw
Journal of the American Ceramic Society, Vol. 81, Issue 1
DOI: 10.1111/j.1151-2916.1998.tb02297.x

Atomic structure of undoped Σ = 5 symmetrical tilt grain boundary in strontium titanate
journal, December 1993

Ravikumar, V.; Dravid, Vinayak P.
Ultramicroscopy, Vol. 52, Issue 3-4
DOI: 10.1016/0304-3991(93)90073-7

Effect of B-Cation Doping on Oxygen Vacancy Formation and Migration in LaBO<sub>3</sub>: A Density Functional Theory Study
journal, September 2015

Kwon, Hyunguk; Park, Jinwoo; Kim, Byung-Kook
Journal of the Korean Ceramic Society, Vol. 52, Issue 5
DOI: 10.4191/kcers.2015.52.5.331

Electrical conductivity in La1−xSrxMnO3+δ
journal, November 1993

Vanroosmalen, J.; Huijsmans, J.; Plomp, L.
Solid State Ionics, Vol. 66, Issue 3-4
DOI: 10.1016/0167-2738(93)90417-2

Vertically aligned nanocomposite La0.8Sr0.2MnO3−δ/Zr0.92Y0.08O1.96 thin films as electrode/electrolyte interfacial layer for solid oxide reversible fuel cells
journal, December 2013

Su, Qing; Yoon, Daeil; Sisman, Zeynep
International Journal of Hydrogen Energy, Vol. 38, Issue 36
DOI: 10.1016/j.ijhydene.2013.09.128

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Defect chemistry of alkaline earth metal (Sr/Ba) titanates
journal, July 2016

Shi, Tuo; Chen, Yapeng; Guo, Xin
Progress in Materials Science, Vol. 80
DOI: 10.1016/j.pmatsci.2015.10.002

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

Engineering Mixed Ionic Electronic Conduction in La _0.8 Sr _0.2 MnO _{3+ δ} Nanostructures through Fast Grain Boundary Oxygen Diffusivity
journal, April 2015

Saranya, Aruppukottai M.; Pla, Dolors; Morata, Alex
Advanced Energy Materials, Vol. 5, Issue 11
DOI: 10.1002/aenm.201500377

Performance/structure correlation for composite SOFC cathodes
journal, July 1996

Juhl, Mette; Primdahl, Søren; Manon, Carrie
Journal of Power Sources, Vol. 61, Issue 1-2
DOI: 10.1016/S0378-7753(96)02361-0

Relations between the Concentrations of Imperfections in Crystalline Solids
book, January 1956

Kröger, F. A.; Vink, H. J.
Solid State Physics
DOI: 10.1016/S0081-1947(08)60135-6

Trapping of oxygen vacancy at grain boundary and its correlation with local atomic configuration and resultant excess energy in barium titanate: A systematic computational analysis
journal, October 2010

Oyama, Takashi; Wada, Nobuyuki; Takagi, Hiroshi
Physical Review B, Vol. 82, Issue 13
DOI: 10.1103/PhysRevB.82.134107

CMR manganites: physics, thin films and devices
journal, April 2003

Haghiri-Gosnet, A-M; Renard, J-P
Journal of Physics D: Applied Physics, Vol. 36, Issue 8
DOI: 10.1088/0022-3727/36/8/201

Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO ₃
journal, November 2012

Helgee, E. E.; Lindman, A.; Wahnström, G.
Fuel Cells, Vol. 13, Issue 1
DOI: 10.1002/fuce.201200071

First Principles Calculations of Oxygen Vacancy Formation and Migration in Ba _1−x Sr _x Co _1−y Fe _y O _3−δ Perovskites
journal, January 2011

Merkle, Rotraut; Mastrikov, Yuri A.; Kotomin, Eugene A.
Journal of The Electrochemical Society, Vol. 159, Issue 2
DOI: 10.1149/2.077202jes

A SIMS study of oxygen tracer diffusion and surface exchange in La0.8Sr0.2MnO3+δ
journal, March 2000

De Souza, R. A.; Kilner, J. A.; Walker, J. F.
Materials Letters, Vol. 43, Issue 1-2
DOI: 10.1016/S0167-577X(99)00228-1

New Insights into the Strain Coupling to Surface Chemistry, Electronic Structure, and Reactivity of La _0.7 Sr _0.3 MnO ₃
journal, March 2011

Jalili, Helia; Han, Jeong Woo; Kuru, Yener
The Journal of Physical Chemistry Letters, Vol. 2, Issue 7
DOI: 10.1021/jz200160b

Grain boundary stoichiometry and interactions with defects in SrTiO3
journal, January 2012

Uberuaga, Blas P.; Choudhury, Samrat; Bai, Xian-Ming
Scripta Materialia, Vol. 66, Issue 2
DOI: 10.1016/j.scriptamat.2011.10.019

Chemical diffusion and defect chemistry of grain boundaries in n-type barium titanate ceramics
journal, January 2017

Preis, Wolfgang
Solid State Ionics, Vol. 299
DOI: 10.1016/j.ssi.2016.08.004

Dislocations Accelerate Oxygen Ion Diffusion in La _0.8 Sr _0.2 MnO ₃ Epitaxial Thin Films
journal, September 2017

Navickas, Edvinas; Chen, Yan; Lu, Qiyang
ACS Nano, Vol. 11, Issue 11
DOI: 10.1021/acsnano.7b06228

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space–charge theory
journal, January 2012

Polfus, Jonathan M.; Toyoura, Kazuaki; Oba, Fumiyasu
Physical Chemistry Chemical Physics, Vol. 14, Issue 35
DOI: 10.1039/c2cp41101f

Computational investigation of defect segregation at the (001) surface of BaCeO3 and BaZrO3: the role of metal–oxygen bond strength in controlling vacancy segregation
journal, January 2013

Tauer, Tania; O'Hayre, Ryan; Medlin, J. Will
Journal of Materials Chemistry A, Vol. 1, Issue 8
DOI: 10.1039/c2ta01297a

Impedance of SOFC electrodes: A review and a comprehensive case study on the impedance of LSM:YSZ cathodes
journal, January 2014

Nielsen, Jimmi; Hjelm, Johan
Electrochimica Acta, Vol. 115
DOI: 10.1016/j.electacta.2013.10.053

Fast oxygen exchange and diffusion kinetics of grain boundaries in Sr-doped LaMnO ₃ thin films
journal, January 2015

Navickas, Edvinas; Huber, Tobias M.; Chen, Yan
Physical Chemistry Chemical Physics, Vol. 17, Issue 12
DOI: 10.1039/C4CP05421K

Tailoring optical, magnetic and electric behavior of lanthanum strontium manganite La _1−x Sr _x MnO ₃ (LSM) nanopowders prepared via a co-precipitation method with different Sr ²⁺ ion contents
journal, January 2016

Turky, Ali Omar; Rashad, Mohamed Mohamed; Hassan, Ali Mostafa
RSC Advances, Vol. 6, Issue 22
DOI: 10.1039/C5RA27461C

Long-Term Stability of LSM-YSZ Based Cathodes
journal, October 2013

Baque, L. C.; Jorgensen, P. S.; Hansen, K. V.
ECS Transactions, Vol. 57, Issue 1
DOI: 10.1149/05701.2027ecst

Defect segregation to grain boundaries in BaZrO ₃ from first-principles free energy calculations
journal, January 2017

Lindman, Anders; Bjørheim, Tor S.; Wahnström, Göran
Journal of Materials Chemistry A, Vol. 5, Issue 26
DOI: 10.1039/C7TA01080J

Strain effects on oxygen migration in perovskites
journal, January 2015

Mayeshiba, Tam; Morgan, Dane
Physical Chemistry Chemical Physics, Vol. 17, Issue 4
DOI: 10.1039/C4CP05554C

Oxygen nonstoichiometry, defect equilibria, and thermodynamic characterization of LaMnO3 perovskites with Ca/Sr A-site and Al B-site doping
journal, January 2016

Takacs, M.; Hoes, M.; Caduff, M.
Acta Materialia, Vol. 103
DOI: 10.1016/j.actamat.2015.10.026

Atomic structure, electronic structure, and defect energetics in $[001] (310) Σ 5$ grain boundaries of ${SrTiO}_{3}$ and ${BaTiO}_{3}$
journal, December 2008

Imaeda, M.; Mizoguchi, T.; Sato, Y.
Physical Review B, Vol. 78, Issue 24
DOI: 10.1103/PhysRevB.78.245320

Influence of Ce ³⁺ polarons on grain boundary space-charge in proton conducting Y-doped BaCeO ₃
journal, January 2018

Polfus, Jonathan M.; Pishahang, Mehdi; Bredesen, Rune
Physical Chemistry Chemical Physics, Vol. 20, Issue 23
DOI: 10.1039/C8CP00168E

Oxide Ion Transport in Donor-Doped Pb(ZrxTi1−x)O3: The Role of Grain Boundaries: Oxide Ion Transport in Donor-Doped Pb(ZrxTi1−x)O3 (PZT)
journal, February 2011

Frömling, Till; Schintlmeister, Arno; Hutter, Herbert
Journal of the American Ceramic Society, Vol. 94, Issue 4
DOI: 10.1111/j.1551-2916.2010.04158.x

Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials
journal, January 2011

Pavone, Michele; Ritzmann, Andrew M.; Carter, Emily A.
Energy & Environmental Science, Vol. 4, Issue 12
DOI: 10.1039/c1ee02377b

Modelling of grain boundary resistivities of n-conducting BaTiO3 ceramics
journal, October 2006

Preis, W.; Sitte, W.
Solid State Ionics, Vol. 177, Issue 26-32
DOI: 10.1016/j.ssi.2006.06.003

Evaluation of manganese and oxygen content in La0.7Sr0.3MnO3−δ and correlation with the thermodynamic data
journal, May 2010

Tanasescu, Speranta; Marinescu, Cornelia; Maxim, Florentina
Journal of Solid State Electrochemistry, Vol. 15, Issue 1
DOI: 10.1007/s10008-010-1093-x

Space Charge in Ionic Crystals. I. General Approach with Application to NaCl
journal, November 1965

Kliewer, K. L.; Koehler, J. S.
Physical Review, Vol. 140, Issue 4A
DOI: 10.1103/PhysRev.140.A1226

Temperature dependence of faceting in Σ5(310)[001] grain boundary of SrTiO3
journal, February 2003

Lee, Sung Bo; Sigle, Wilfried; Kurtz, Wolfgang
Acta Materialia, Vol. 51, Issue 4
DOI: 10.1016/S1359-6454(02)00500-1

Oxygen Reduction Activity on Perovskite Oxide Surfaces: A Comparative First-Principles Study of LaMnO ₃ , LaFeO ₃ , and LaCrO ₃
journal, January 2013

Wang, Yan; Cheng, Hai-Ping
The Journal of Physical Chemistry C, Vol. 117, Issue 5
DOI: 10.1021/jp309203k

Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites
journal, May 2013

Lee, Wonyoung; Han, Jeong Woo; Chen, Yan
Journal of the American Chemical Society, Vol. 135, Issue 21
DOI: 10.1021/ja3125349

First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO $_{3}$
journal, February 2011

Marton, Pavel; Shimada, Takahiro; Kitamura, Takayuki
Physical Review B, Vol. 83, Issue 6
DOI: 10.1103/PhysRevB.83.064110

Crystallography of Interfaces and Grain Size Distributions in Sr-Doped LaMnO ₃
journal, May 2014

Liu, Qinyuan; Bhattacharya, Sudip; Helmick, Lam
Journal of the American Ceramic Society, Vol. 97, Issue 8
DOI: 10.1111/jace.12984

Development of lanthanum strontium manganite perovskite cathode materials of solid oxide fuel cells: a review
journal, November 2008

Jiang, San Ping
Journal of Materials Science, Vol. 43, Issue 21
DOI: 10.1007/s10853-008-2966-6

Defect chemistry and ion transport in nanostructured materials Part II. Aspects of nanoionics
journal, February 2003

Maier, J.
Solid State Ionics, Vol. 157, Issue 1-4
DOI: 10.1016/S0167-2738(02)00229-1

Materials for Intermediate-Temperature Solid-Oxide Fuel Cells
journal, July 2014

Kilner, John A.; Burriel, Mónica
Annual Review of Materials Research, Vol. 44, Issue 1
DOI: 10.1146/annurev-matsci-070813-113426

Oxygen Diffusion in LaMnO3and LaCoO3Perovskite-Type Oxides: A Molecular Dynamics Study
journal, July 1996

Islam, M. S.; Cherry, M.; Catlow, C. R. A.
Journal of Solid State Chemistry, Vol. 124, Issue 2
DOI: 10.1006/jssc.1996.0231

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Title: Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO 3

Abstract

Citation Formats

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Title: Origin of fast oxide ion diffusion along grain boundaries in Sr-doped LaMnO ₃

Generalized Gradient Approximation Made Simple
journal, October 1996

Measurement of oxygen transport in La0.8Sr0.2MnO3 perovskite grains
journal, March 2012

Observation of structural units at symmetric [001] tilt boundaries in SrTiO3
journal, January 1995

Oxygen tracer diffusion in donor doped barium titanate
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Projector augmented-wave method
journal, December 1994

Ion conduction and redistribution at grain boundaries in oxide systems
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Defect Chemistry of (La,Sr)MnO3
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Effect of B-Cation Doping on Oxygen Vacancy Formation and Migration in LaBO<sub>3</sub>: A Density Functional Theory Study
journal, September 2015

Electrical conductivity in La1−xSrxMnO3+δ
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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Defect chemistry of alkaline earth metal (Sr/Ba) titanates
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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Engineering Mixed Ionic Electronic Conduction in La _0.8 Sr _0.2 MnO _{3+ δ} Nanostructures through Fast Grain Boundary Oxygen Diffusivity
journal, April 2015

Performance/structure correlation for composite SOFC cathodes
journal, July 1996

Relations between the Concentrations of Imperfections in Crystalline Solids
book, January 1956

Trapping of oxygen vacancy at grain boundary and its correlation with local atomic configuration and resultant excess energy in barium titanate: A systematic computational analysis
journal, October 2010

CMR manganites: physics, thin films and devices
journal, April 2003

Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO ₃
journal, November 2012

First Principles Calculations of Oxygen Vacancy Formation and Migration in Ba _1−x Sr _x Co _1−y Fe _y O _3−δ Perovskites
journal, January 2011

A SIMS study of oxygen tracer diffusion and surface exchange in La0.8Sr0.2MnO3+δ
journal, March 2000

New Insights into the Strain Coupling to Surface Chemistry, Electronic Structure, and Reactivity of La _0.7 Sr _0.3 MnO ₃
journal, March 2011

Grain boundary stoichiometry and interactions with defects in SrTiO3
journal, January 2012

Chemical diffusion and defect chemistry of grain boundaries in n-type barium titanate ceramics
journal, January 2017

Dislocations Accelerate Oxygen Ion Diffusion in La _0.8 Sr _0.2 MnO ₃ Epitaxial Thin Films
journal, September 2017

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space–charge theory
journal, January 2012

Computational investigation of defect segregation at the (001) surface of BaCeO3 and BaZrO3: the role of metal–oxygen bond strength in controlling vacancy segregation
journal, January 2013

Impedance of SOFC electrodes: A review and a comprehensive case study on the impedance of LSM:YSZ cathodes
journal, January 2014

Fast oxygen exchange and diffusion kinetics of grain boundaries in Sr-doped LaMnO ₃ thin films
journal, January 2015

Tailoring optical, magnetic and electric behavior of lanthanum strontium manganite La _1−x Sr _x MnO ₃ (LSM) nanopowders prepared via a co-precipitation method with different Sr ²⁺ ion contents
journal, January 2016

Long-Term Stability of LSM-YSZ Based Cathodes
journal, October 2013

Defect segregation to grain boundaries in BaZrO ₃ from first-principles free energy calculations
journal, January 2017

Strain effects on oxygen migration in perovskites
journal, January 2015

Oxygen nonstoichiometry, defect equilibria, and thermodynamic characterization of LaMnO3 perovskites with Ca/Sr A-site and Al B-site doping
journal, January 2016

Atomic structure, electronic structure, and defect energetics in $[001] (310) Σ 5$ grain boundaries of ${SrTiO}_{3}$ and ${BaTiO}_{3}$
journal, December 2008

Influence of Ce ³⁺ polarons on grain boundary space-charge in proton conducting Y-doped BaCeO ₃
journal, January 2018

Oxide Ion Transport in Donor-Doped Pb(ZrxTi1−x)O3: The Role of Grain Boundaries: Oxide Ion Transport in Donor-Doped Pb(ZrxTi1−x)O3 (PZT)
journal, February 2011

Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials
journal, January 2011

Modelling of grain boundary resistivities of n-conducting BaTiO3 ceramics
journal, October 2006

Evaluation of manganese and oxygen content in La0.7Sr0.3MnO3−δ and correlation with the thermodynamic data
journal, May 2010

Space Charge in Ionic Crystals. I. General Approach with Application to NaCl
journal, November 1965

Temperature dependence of faceting in Σ5(310)[001] grain boundary of SrTiO3
journal, February 2003

Oxygen Reduction Activity on Perovskite Oxide Surfaces: A Comparative First-Principles Study of LaMnO ₃ , LaFeO ₃ , and LaCrO ₃
journal, January 2013

Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites
journal, May 2013

First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO $_{3}$
journal, February 2011

Crystallography of Interfaces and Grain Size Distributions in Sr-Doped LaMnO ₃
journal, May 2014

Development of lanthanum strontium manganite perovskite cathode materials of solid oxide fuel cells: a review
journal, November 2008

Defect chemistry and ion transport in nanostructured materials Part II. Aspects of nanoionics
journal, February 2003

Materials for Intermediate-Temperature Solid-Oxide Fuel Cells
journal, July 2014

Oxygen Diffusion in LaMnO3and LaCoO3Perovskite-Type Oxides: A Molecular Dynamics Study
journal, July 1996