Book chapters


  1. Book Chapter - B. Yildiz, "Reversible Solid Oxide Cells for Large Scale Energy Storage – Challenges and Opportunities", Functional Materials for Energy Applications, Ed.1. Editors - John A. Kilner, Stephen Skinner, Stuart Irvine, Peter Edwards. Published by Woodhead Publishing Series in Energy on October 23, 2012. ISBN: 0857090593

Journal Papers


2014
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    Effect of Niobium on the Defect Chemistry and Oxidation Kinetics of Tetragonal ZrO2

    Uuganbayar Otgonbaatar, Wen Ma, Mostafa Youssef and Bilge Yildiz
    Journal of Physical Chemistry C, Advance Article 2014. DOI: 10.1021/jp504874v

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    Autonomous basin climbing method with sampling of multiple transition pathways: application to anisotropic diffusion of point defects in HCP Zr

    Yue Fan, Sidney Yip and Bilge Yildiz
    Journal of Physics: Condensed Matter, 26 36, 365402, 2014. DOI: 10.1088/0953-8984/26/36/365402

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    Reducibility of Co at the La0.8Sr0.2CoO3/(La0.5Sr0.5)2CoO4 hetero-interface at elevated temperatures

    Nikolai Tsvetkov, Yan Chen and Bilge Yildiz
    Journal of Materials Chemistry A, 2, 14690-14695, 2014 DOI: 10.1039/C4TA01889C

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    Thermal conductivity control by oxygen defect concentration modification in reducible oxides: The case of Pr0.1Ce0.9O2−δ thin films

    Maria N. Luckyanova, Di Chen, Wen Ma, Harry L. Tuller, Gang Chen, and Bilge Yildiz
    Applied Physics Letters, 104 6, 061911, 2014. DOI: 10.1063/1.4865768

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    Dynamics of point defect formation, clustering and pit initiation on the pyrite surface

    F.W. Herbert, A. Krishnamoorthy, W. Ma, K.J. Van Vliet and B. Yildiz
    Electrochimica Acta, 127, 416-426, 2014. DOI: 10.1016/j.electacta.2014.02.048

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    'Stretching' the Energy Landscape of Oxides Inspired from Metals and Polymers: Effects of Elastic Strain on Surface Chemistry and Catalysis

    B. Yildiz
    Invited article, Materials Research Society Bulletin issue on Elastic Strain Engineering, 39 2, 147-156, 2014. DOI: 10.1557/mrs.2014.8

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    Hydrogen Defects in Tetragonal ZrO2 Studied Using Density Functional Theory

    M. Youssef and B. Yildiz
    Physical Chemistry Chemical Physics, 16 4, 1354-1365, 2014. DOI: 10.1039/C3CP54153C

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    Predicting Self-Diffusion in Metal Oxides from First Principles: The Case of Oxygen in Tetragonal ZrO2

    M. Youssef and B. Yildiz
    Physical Review B, 89, 024105, 2014. DOI: 10.1103/PhysRevB.89.024105

2013
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    Docking Sr-90 into Cement – atomistic simulations of stability and mechanical properties

    M. Youssef, R. Pellenq and B. Yildiz
    Physics and Chemistry of the Earth, In Press, 2013. DOI: 10.1016/j.pce.2013.11.007

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    Scalable oxygen-ion transport kinetics in metal-oxide films: Impact of thermally induced lattice compaction in acceptor doped ceria films

    J.L.M. Rupp, E. Fabbri, D. Marrocchelli, J.W. Han, D. Chen, E. Traversa, H.L. Tuller and B. Yildiz
    Advanced Functional Materials, 2014. DOI: 10.1002/adfm.201302117

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    Chemomechanics of ionically conductive ceramics for electrical energy conversion and storage

    Swallow, J.G., Woodford, W.H., Chen, Y., Lu, Q., Kim, J.J., Chen, D., Chiang, Y.-M., Carter, W.C., Yildiz, B., Tuller, H.L., and Van Vliet, K.J.
    Journal of Electroceramics, 2013. DOI: 10.1007/s10832-013-9872-2

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    Low Intensity Conduction States in FeS2: Implications for Absorption, Open-circuit Voltage and Surface Recombination

    P. Lazic, R. Armiento, F. W. Herbert, R. Chakraborty, R. Sun, M. K. Y. Chan, T. Buonassisi, B. Yildiz, G. Ceder
    Journal of Physics: Condensed Matter, 25, 465801 1-10, 2013. DOI: 10.1088/0953-8984/25/46/465801

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    Quantification of electronic band gap and surface states on FeS2(100)

    F. W. Herbert, A. Krishnamoorthy, K. J. Van Vliet, B. Yildiz
    Surface Science, 618, 53-61, 2013. DOI: 10.1016/j.susc.2013.08.014

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    Mapping Strain-rate Dependent Dislocation-Defect Interactions by Atomistic Simulations

    Yue Fan, Yuri Osetsky, Sidney Yip and Bilge Yildiz
    Proceedings of the National Academy of Sciences, 110 44, 17756-17761, 2013. DOI: 10.1073/pnas.1310036110

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    Analogy between glass rheology and crystal plasticity: yielding at high strain rate

    Yue Fan, Bilge Yildiz, Sidney Yip
    Soft Matter, 9 40, 9511-9514, 2013. DOI: 10.1039/C3SM50337B

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    Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites

    Wonyoung Lee, Jeong Woo Han, Yan Chen, Zhuhua Cai, Bilge Yildiz
    Journal of the American Chemical Society 135 21, 7909–7925, 2013. DOI: 10.1021/ja3125349

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    Tensile Lattice Strain Accelerates Oxygen Surface Exchange and Diffusion in La1-xSrxCoO3-δ Thin Films

    M. Kubicek, Z. Cai, W. Ma, B. Yildiz, H. Hutter, J. Fleig
    ACS Nano 7 4, 3276–3286, 2013. DOI: 10.1021/nn305987x

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    Electronic activation of cathode superlattices at elevated temperatures - source of markedly accelerated oxygen reduction kinetics (Journal cover article)

    Yan Chen, Zhuhua Cai, Yener Kuru, Harry L. Tuller and Bilge Yildiz
    Advanced Energy Materials (2013) 3 9, 1221–1229, 2013. DOI: 10.1002/aenm.201300025

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    Self-interstitial clusters in radiation damage accumulation: coupled molecular dynamics and metadynamics simulations

    P. R. Monasterio, S. Yip, B. Yildiz
    The European Physical Journal B 86 118, 2013. DOI: 10.1140/epjb/e2013-30778-y

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    High Surface Reactivity and Water Adsorption on NiFe2O4 (111) Surfaces

    Priyank. V. Kumar, M. P. Short, S. Yip, B. Yildiz and J. C. Grossman
    Journal of Physical Chemistry C 117 11, 5678-5683, 2013. DOI: 10.1021/jp309434a

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    Electronic States of Intrinsic Surface and Bulk Vacancies in FeS2

    Aravind Krishnamoorthy, F. William Herbert, Sidney Yip, Krystyn J. Van Vliet, and Bilge Yildiz
    Journal of Physics: Condensed Matter 25 4, 045004, 2013. DOI: 10.1088/0953-8984/25/4/045004

2012
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    Anomalous Chemical Expansion Behavior of Pr0.2Ce0.8O2-δ Thin Films Grown by Pulsed Laser Deposition

    Y. Kuru, D. Marrocchelli, S. R. Bishop, D. Chen, B. Yildiz and H. L. Tuller
    Journal of the Electrochemical Society 159 11, F799-F803, 2012. DOI: 10.1149/2.016212jes

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    Onset mechanism of strain rate induced flow stress up-turn

    Yue Fan, Yuri N. Osetsky, Sidney Yip and Bilge Yildiz
    Physical Review Letters 109, 135503, 2012. DOI: 10.1103/PhysRevLett.109.135503

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    Intrinsic Point Defect Equilibria in Tetragonal ZrO2 - Density Functional Theory Analysis with Finite Temperature Effects

    Mostafa Youssef and Bilge Yildiz
    Physical Review B 86, 144109, 2012. DOI: 10.1103/PhysRevB.86.144109

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    Charge localization increases chemical expansion in cerium-based oxides (Journal cover article)

    Dario Marrocchelli, Sean R. Bishop, Harry L. Tuller, Graeme W. Watson and Bilge Yildiz
    Physical Chemistry Chemical Physics 14, 12070-12074, 2012. DOI: 10.1039/C2CP40754J
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    First-Principles Assessment of the Reactions of Boric Acid on NiO (001) and ZrO2 (-111) Surfaces

    Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz and Jeffrey C.Grossman
    Journal of Physical Chemisrty C 116, 10113-10119, 2012. DOI: 10.1021/jp301607h

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    Impact of Sr segregation on the electronic structure and oxygen reduction activity of SrTi1-xFexO3 surfaces

    Yan Chen, WooChul Jung, Zhuhua Cai, Jae Jin Kim, Harry L. Tuller, and Bilge Yildiz
    Energy Environmental Science 5, 7979-7988, 2012. DOI: 10.1039/c2ee21463f

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    Mechanism for enhanced oxygen reduction kinetics at the (La,Sr)CoO3-δ/(La,Sr)2CoO4+δ hetero-interface

    Jeong Woo Han and Bilge Yildiz
    Energy Environmental Science 5,8598-8607, 2012. DOI: 10.1039/C2EE03592H

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    Chemical Heterogeneities on La0.6Sr0.4CoO3-δ Thin Films - Correlations to Cathode Surface Activity and Stability

    Zhuhua Cai, Markus Kubicek, Jűrgen Fleig, and Bilge Yildiz
    Chemistry of Materials 24, 1116-1127, 2012. DOI: 10.1021/cm203501u

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    Understanding chemical expansion in non-stoichiometric oxides: ceria and zirconia case studies

    Dario Marrocchelli, Sean R. Bishop, Harry L. Tuller, and Bilge Yildiz
    Advanced Functional Materials 22, 1958-1965, 2012. DOI: 10.1002/adfm.201102648

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    Plasticity-induced oxidation reactivity on Ni(100) studied by scanning tunneling spectroscopy

    F.W. Herbert, K.J. Van Vliet and B. Yildiz
    MRS Communications. 2 23-27, 2012. DOI: 10.1557/mrc.2011.17

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    First-Principles Assessment of H2S and H2O Reaction Mechanisms and the Subsequent Hydrogen Absorption on the CeO2(111) Surface

    Dario Marrocchelli and Bilge Yildiz
    Journal of Physical Chemistry C 116, 2411-2424, 2012. DOI: 10.1021/jp205573v

2011
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    Enhanced one dimensional mobility of oxygen on strained LaCoO3(001) surface

    Jeong Woo Han and Bilge Yildiz
    Journal of Materials Chemistry 21 18983-18990, 2011. DOI: 10.1039/c1jm12830b

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    Surface Electronic Structure Transitions at High Temperature on Perovskite Oxides: The Case of Strained La0.8Sr0.2CoO3 Thin Films

    Zhuhua Cai, Yener Kuru, Jeong Woo Han, Yan Chen, and Bilge Yildiz
    Journal of the American Chemical Society 133, 17696-17704, 2011. DOI: 10.1021/ja2059445

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    Direct Probing of Nano-dimensioned Oxide Multilayers with Aid of Focused Ion Beam Milling

    Yener Kuru, Helia Jalili, Zhuhua Cai, Bilge Yildiz and Harry L. Tuller
    Advanced Materials 23 4543-4548, 2011. DOI: 10.1002/adma.201102401

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    Chemical expansion of nonstoichiometric Pr0.1Ce0.9O2−δ: Correlation with defect equilibrium model

    Sean R. Bishop, Harry L. Tuller, Yener Kuru and Bilge Yildiz
    J. Eur. Ceram. Soc. 31 2351-2356, 2011. DOI: 10.1016/j.jeurceramsoc.2011.05.034

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    A Dipole Polarizable Potential for Reduced and Doped CeO2 from First-Principles

    Mario Burbano, Dario Marrocchelli, Bilge Yildiz, Harry Tuller, Stefan Norberg, Stephen Hull, Paul Madden, and Graeme Watson
    Journal of Physics Condensed Matter 23 255402, 2011. DOI: 10.1088/0953-8984/23/25/255402

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    New Insights into the Strain Coupling to Surface Chemistry, Electronic Structure and Reactivity of La0.7Sr0.3MnO3

    Helia Jalili†, Jeong Woo Han†, Yener Kuru, Zhuhua Cai, and Bilge Yildiz (†Equally Contributed)
    J. Phys. Chem. Lett. 2 810-807, 2011. DOI: 10.1021/jz200160b

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    Mechanism of Incipient Void Swelling in bcc-Fe: Atomistic Simulations at Experimental Time Scales

    Yue Fan, Akihiro Kushima, Sidney Yip, and Bilge Yildiz
    Phys. Rev. Lett. 106 125501, 2011. DOI: 10.1103/PhysRevLett.106.125501

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    Chemomechanical properties and microstructural stability of nanocrystalline Pr-doped ceria: an in situ X-ray diffraction investigation

    Y. Kuru, S. R. Bishop, J. J. Kim , B. Yildiz, and H. L. Tuller
    Solid State Ionics 193 1-4, 2011. DOI: 10.1016/j.ssi.2011.04.012

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    Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: Mechanistic insights from atomistic simulations

    Alexander Chroneos*, Bilge Yildiz*, Albert Tarancón*, David Parfitt, and John A. Kilner*
    Energy Environ. Sci. 4 2774-2789, 2011. DOI: 10.1039/c0ee00717j

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    Glassy Nature of Water in an Ultra-confining Disordered Material: The Case of Calcium-Silicate-Hydrate

    Mostafa Youssef, Roland J. M. Pellenq, and Bilge Yildiz
    J. Am. Chem. Soc. 133 2499-2510, 2011. DOI: 10.1021/ja107003a

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    Interstitialcy Diffusion of Oxygen in Tetragonal La2CoO4

    Akihiro Kushima, David Parfitt, Alexander Chroneos, Bilge Yildiz, John A. Kilner, and Robin W. Grimes
    Phys. Chem. Chem. Phys. 133 2499-2510, 2011. DOI: 10.1039/c0cp01603a

2010
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    Competing Strain Effects in Reactivity of LaCoO3 with Oxygen

    Akihiro Kushima, Sidney Yip, and Bilge Yildiz
    Phys. Rev. B 82 115435, 2010. DOI: 10.1103/PhysRevB.82.115435

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    Oxygen Ion Diffusivity in Strained Yttria Stabilized Zirconia: Where is the Fastest Strain?

    Akihiro Kushima and Bilge Yildiz
    J. Mater. Chem. 20 4809-4819, 2010. DOI: 10.1039/c000259c

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    Unfaulting mechanism of trapped self-interstitial atom clusters in bcc-Fe: A kinetic study based on the potential energy landscape

    Yue Fan, Akihiro Kushima, and Bilge Yildiz
    Phys. Rev. B 81, 104102, 2010. DOI: 10.1103/PhysRevB.81.104102

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    Degradation Mechanism in La0.8Sr0.2CoO3 as Contact Layer on the Solid Oxide Electrolysis Cell Anode

    Vivek Inder Sharma and Bilge Yildiz
    J. Electrochem. Soc. 157 B441-B448, 2010. DOI: 10.1149/1.3288835

2009
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    Electron tunneling characteristics on La0.7Sr0.3MnO3 thin-film surfaces at high temperature

    Khabiboulakh Katsiev, Bilge Yildiz, Kavaipatti Balasubramaniam, and Paul A. Salvador
    Appl. Phys. Lett. 95 092106, 2009. DOI: 10.1063/1.3204022

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    Metallic Interfaces in Harsh Chemo-Mechanical Environments

    Bilge Yildiz, Anna Nikiforova, and Sidney Yip
    Nuclear Engineering and Technology 41, 21-38, 2009. DOI: 10.5516/NET.2009.41.1.021

2008
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    Nuclear hydrogen: An assessment of product flexibility and market viability

    Audun Botterud, Bilge Yildiz, Guenter Conzelmann, and Mark C. Petri
    Energy Policy 36 3961-3973, 2008. DOI:10.1016/j.enpol.2008.07.007

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    Post-test evaluation of oxygen electrodes from solid oxide electrolysis stacks

    Jennifer R. Mawdsley, J. David Carter, A. Jeremy Kropf, Bilge Yildiz, and Victor A. Maroni
    Int. J. of of Hydrogen Energy 34 4198-4207, 2009. DOI: 10.1016/j.ijhydene.2008.07.061

2006
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    Hydrogen Production Using High Temperature Steam Electrolysis Supported by Advanced Gas Reactors and Supercritical CO2 Cycles

    Bilge Yildiz, Katherine J. Hohnholt, and Mujid S. Kazimi
    Nuclear Technology 155 1-21, 2006.

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    Efficiency of Hydrogen Production Systems Using Alternative Nuclear Energy Technologies

    Bilge Yildiz and Mujid S. Kazimi
    Int. J. of Hydrogen Energy 31 77-92, 2006. DOI: 10.1016/j.ijhydene.2005.02.009


Refereed Conference Proceedings



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    Dependence of Defect Chemistry and Surface Composition on the Crystal Orientation of (La0.5Sr0.5)2CoO4 Dense Thin Films

    W. Lee and B. Yildiz
    ECS Trans. 58 2, 265-274 (2013) DOI: 10.1149/05802.0265ecst

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    Factors that Influence Cation Segregation at the Surfaces of Perovskite Oxides

    W. Lee and B. Yildiz
    ECS Trans. 57 1, 2111-2120 (2013) DOI: 10.1149/05701.2115ecst

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    Electronic Activation At Oxide Hetero-structures at Elevated Temperatures – Source Of Markedly Accelerated Oxygen Reduction Kinetics

    Y. Chen, Z. Cai, Y. Kuru, H. L. Tuller and B. Yildiz
    ECS Trans. 57 1, 1777-1786 (2013) DOI: 10.1149/05701.1781ecst

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    Surface Chemistry and Non-Stoichiometry of Nd2NiO4+δ Epitaxial Thin Films with Different Orientation and Strain

    Nikolay Tsvetkov, Qiyang Lu, Yan Chen, and Bilge Yildiz
    ECS Trans. 57 1, 1743-1752 (2013) DOI: 10.1149/05701.1743ecst

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    Role of Chemical Heterogeneities on Oxygen Reduction Kinetics on the Surface of Thin Film Cathodes

    Wonyoung Lee, Zhuhua Cai, and Bilge Yildiz
    ECS Trans. 45 (2012) DOI: 10.1149/1.3701331

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    Nanoindentation Induced deformation Near Grain Boundaries of Corrosion Resistant Nickel Alloys

    F. William Herbert, Bilge Yildiz, and Krystyn J. Van Vliet
    MRS Proc. 1297 (2011) OI: 10.1557/opl.2011.463

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    Strain Effects on the Surface Chemistry of La0.7Sr0.3MnO3

    Jeong Woo Han, Helia Jalili, Yener Kuru, Zhuhua Cai, and Bilge Yildiz
    ECS Trans. (2011) DOI: 10.1149/1.3570200

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    Chemical, Electronic and Nanostructure Dynamics on Sr(Ti1-xFex)O3 Thin-Film Surfaces at High Temperatures

    Yan Chen, WooChul Jung, Yener Kuru, Harry Tuller, and Bilge Yildiz
    ECS Trans. (2011) DOI: 10.1149/1.3570237

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    Chemical Expansion and Frozen-In Oxygen Vacancies in Pr-Doped Ceria

    Y. Kuru, S. R. Bishop, J. J. Kim , B. Yildiz, and H. L. Tuller
    ECS Trans. (2011) DOI: 10.1149/1.3570094

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    Structural, Chemical, and Electronic State on La0.7Sr0.3MnO3 Dense Thin-Film Surfaces at High Temperature: Surface Segregation

    Helia Jalili, Yan Chen, and Bilge Yildiz
    ECS Trans. (2010) DOI: 10.1149/1.3495846

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    Role of Lattice Strain and Defect Chemistry on the Oxygen Vacancy Migration at the (8.3% Y2O3-ZrO2)/SrTiO3 Hetero-Interface: A First Principles Study

    Akihiro Kushima and Bilge Yildiz
    ECS Trans. (2009) DOI: 10.1149/1.3205696

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    Correlations of Electronic and Chemical State on La0.7Sr0.3MnO3 Dense Thin-Film Cathode Surface

    K. Katsiev, B. Yildiz, K. Balasubramaniam, and P. A. Salvador
    ECS Trans. (2009) DOI: 10.1149/1.3205782

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    In Situ Synchrotron X-ray Spectroscopy of Lanthanum Manganite Solid Oxide Fuel Cell Electrodes

    Kee-Chul Chang, Bilge Yildiz, Deborah Myers, John David Carter, and Hoydoo You
    ECS Trans. (2009) DOI: 10.1149/1.3242219

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    In situ synchrotron X-ray studies of dense thin-film strontium-doped lanthanum manganite solid oxide fuel cell cathodes

    K. Chang, B. Ingram, B. Kavaipatti, B. Yildiz, D. Hennessy, P. Salvador, N. Leyarovska and H. You
    Proc. MRS Fall Meeting (2008)

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    In situ Synchrotron X-ray Investigation of Alloy Corrosion in Supercritical Water

    B. Yildiz, K.-C. Chang, H. You, D. Miller, H. Bearat, M. McKelvy
    212th Meeting of the Electrochemical Society (2007)

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    In situ X-ray and Electrochemical Studies of the Solid Oxide Fuel and Electrolysis Cell Electrodes

    Bilge Yildiz, Deborah J. Myers, J. David Carter, Kee-Chul Chang, and Hoydoo You
    Advances in Solid Oxide Fuel Cells III: Ceramic Engineering and Science Proceedings(2007) DOI: 10.1002/9780470339534.ch15

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    In situ X-ray, Electrochemical, and Modeling Investigation of the Oxygen Electrode Activation

    Bilge Yildiz, Kee-Chul Chang, Deborah Myers, J. David Carter, and Hoydoo You
    Proc. 7th European Solid Oxide Fuel Cell Forum

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    Materials Development for Improved Efficiency of Hydrogen Production by Steam Electrolysis and Thermochemical-Electrochemical Processes

    J. Mawdsley, D. Myers, and B. Yildiz
    Proc. American Institute of Chemical Engineers (2005)

  19. Thermal-fluid and Electrochemical Modeling and Performance Study of a Planar Solid Oxide Electrolysis Cell

    B. Yildiz and T. Sofu
    Proc. American Institute of Chemical Engineers (2005)

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    Investigation of Oxygen Reduction Mechanisms using Cathode Microelectrodes Part II: Analytical Modeling of La1-xSrxMnO3-d Electrochemical Impedance Spectrum

    B. Yildiz, G.J. la O', and Y. Shao-Horn
    Proc. of the 9th International Symposium on SOFCs (2005).

© 2013, The Yildiz Group, Massachusetts Institute of Technology