Electronic Materials: Science & Technology Sean R. Bishop Nicola H. Perry Dario Marrocchelli Brian W. Sheldon Editors Electro- Chemo- Mechanics of Solids Electronic Materials: Science & Technology Series editor Harry L. Tuller, Cambridge, MA, USA TheseriesElectronicMaterials:ScienceandTechnologywilladdressthefollowing goals: (cid:129) Bridge the gap between theory and application (cid:129) Foster and facilitate communication among materials scientists, electrical engineers, physicists and chemists (cid:129) Provide publication with an interdisciplinary approach in the following topic areas: – Sensors and Actuators – Electrically Active Ceramics and Polymers – Structure-Property-Processing-Performance Correlations in Electronic Materials – Electronically Active Interfaces – High Tc Superconducting Materials – Optoelectronic Materials – Composite Materials – Defect Engineering – Solid State Ionics – Electronic Materials in Energy Conversion – SolarCells,HighEnergyDensityMicrobatteries,SolidStateFuelCells,etc. More information about this series at http://www.springer.com/series/5915 Sean R. Bishop Nicola H. Perry (cid:129) Dario Marrocchelli Brian W. Sheldon (cid:129) Editors Electro-Chemo-Mechanics of Solids 123 Editors SeanR. Bishop DarioMarrocchelli Massachusetts Institute of Technology Massachusetts Institute of Technology Cambridge, MA Cambridge, MA USA USA NicolaH.Perry BrianW. Sheldon WPI-l2CNER, KyushuUniversity Brown University Fukuoka Providence,RI Japan USA and Massachusetts Institute of Technology Cambridge, MA USA ISSN 1386-3290 Electronic Materials: Science &Technology ISBN978-3-319-51405-5 ISBN978-3-319-51407-9 (eBook) DOI 10.1007/978-3-319-51407-9 LibraryofCongressControlNumber:2016960768 ©SpringerInternationalPublishingAG2017 Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpart of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission orinformationstorageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilar methodologynowknownorhereafterdeveloped. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publicationdoesnotimply,evenintheabsenceofaspecificstatement,thatsuchnamesareexemptfrom therelevantprotectivelawsandregulationsandthereforefreeforgeneraluse. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authorsortheeditorsgiveawarranty,expressorimplied,withrespecttothematerialcontainedhereinor foranyerrorsoromissionsthatmayhavebeenmade. Printedonacid-freepaper ThisSpringerimprintispublishedbySpringerNature TheregisteredcompanyisSpringerInternationalPublishingAG Theregisteredcompanyaddressis:Gewerbestrasse11,6330Cham,Switzerland Preface The purpose of this book is to introduce key advances in the study of electro-chemo-mechanics (ECM). ECM is the coupling between electrical, chem- ical,andmechanicalpropertiesandrecentlyhasreceivedincreasingattention.New experimentaltechniquesandgreatercomputationalprocessingpowerhavegivenus the ability to explore in greater detail how these materials properties are linked, as well as develop the models needed to apply ECM relationships in devices. Furthermore, as many individual materials reach maxima in their optimization through traditional means (e.g., through compositional control), additional vari- ables,such as interfacing different materials together to, for example, achieve high states of strain, are opening new dimensions to materials property control. The chapters of this book cover ECM from both experimental and computational viewpoints, drawing on the increasing importance of linking the two research approaches. We hope that the chapters of this book, written by pre-eminent researchers in the field of ECM, increases both the reader’s knowledge and enthusiasmforECM.WeacknowledgeProf.HarryTulleratMITforhissuggestion and guidance in preparing this book. Cambridge, MA, USA Sean R. Bishop Fukuoka, Japan Nicola H. Perry Cambridge, MA, USA Dario Marrocchelli Providence, RI, USA Brian W. Sheldon v The original version of the book was revised: For detailed information please see erratum. The erratum to this book is available at 10.1007/978-3-319-51407-9_8 vii Contents 1 Introduction.... .... .... ..... .... .... .... .... .... ..... .... 1 Sean R. Bishop and Nicola H. Perry 2 Conventional Methods for Measurements of Chemo-Mechanical Coupling. .... .... .... .... .... ..... .... 5 Andrey Yu. Zuev and Dmitry S. Tsvetkov 3 In Situ High-Temperature X-ray Diffraction of Thin Films: Chemical Expansion and Kinetics ... .... .... .... .... ..... .... 35 Jose Santiso and Roberto Moreno 4 In-Situ Neutron Diffraction Experiments.. .... .... .... ..... .... 61 Stephen Hull 5 In Situ Wafer Curvature Relaxation Measurements to Determine Surface Exchange Coefficients and Thermo-chemically Induced Stresses . .... .... .... ..... .... 103 Jason D. Nicholas 6 Exploring Electro-Chemo-Mechanical Phenomena on the Nanoscale Using Scanning Probe Microscopy.... ..... .... 137 Amit Kumar, Sergei V. Kalinin and Yunseok Kim 7 Continuum Level Transport and Electro-Chemo-Mechanics Coupling—Solid Oxide Fuel Cells and Lithium Ion Batteries.. .... 161 Ting Hei Wan and Francesco Ciucci Erratum to: Electro-Chemo-Mechanics of Solids .. .... .... ..... .... E1 Sean R. Bishop, Nicola H. Perry, Dario Marrocchelli and Brian W. Sheldon Index .... .... .... .... .... ..... .... .... .... .... .... ..... .... 191 ix Chapter 1 Introduction Sean R. Bishop and Nicola H. Perry Electro-chemo-mechanics is the relationship between electrical, chemical, and mechanicalpropertiesandthestudyofadjustingonepropertythroughthecontrolof another(Fig. 1.1).Thisrelationshipcanresultinbeneficialproperties,forinstance, mixed ionic and electronic conductivity in oxides upon oxygen deficiency or lithium insertion (electro-chemo) [1] and/or changes in ionic and electronic mobility observed in strained systems (electro-mechano) [2]. This relationship can alsoberesponsiblefordetrimentallylargestressesfromnon-stoichiometry-induced lattice dilation (chemo-mechano) [3]. While the origins and characteristics of the electro-chemical relationships have been the focus of many studies, much less is known about the corresponding electro-mechanical, chemo-mechanical, and electro-chemo-mechanicalrelationships.Whendesigningnewmaterials,oneneeds to be cognizant of the latter relationship. For example, deleterious chemical expansion was successfully decreased by decreasing the effective size oxygen vacancies have in the lattice [4], but at the expense of dramatically reduced ionic conductivity [5]. Optimizing the electro-chemo-mechanical response of new materialsisaidedbyrecentfundamentalstudiesexaminingtherolethatfactorssuch ascationradiisize,relaxationsinthelatticeduetodefectformation,andelectronic andcrystalstructureplay[6–11].Thepurposeofthisbookistopresentsummaries Theauthornames“DarioMarrocchelli”and“BrianSheldon”andtheircorrespondingaffiliations which were included earlier has been deleted now. The erratum to the book is available at 10.1007/978-3-319-51407-9 S.R.Bishop(&)(cid:1)N.H.Perry(&) MassachusettsInstituteofTechnology,Cambridge,MA,USA e-mail:[email protected] N.H.Perry e-mail:[email protected] N.H.Perry WPI-l2CNER,KyushuUniversity,Fukuoka,Japan ©SpringerInternationalPublishingAG2017 1 S.R.Bishopetal.(eds.),Electro-Chemo-MechanicsofSolids, ElectronicMaterials:Science&Technology, DOI10.1007/978-3-319-51407-9_1 2 S.R.BishopandN.H.Perry O (g) 2 Mechanical H (g) 2 ½ O 1 3 2 Chemical 2 Electrical Fig.1.1 Overview of electro-chemo-mechanics: (1) chemo-mechanical coupling, e.g., chemically-inducedstresses,(2)electro-chemicalcoupling,e.g.,point-defectinfluencedtransport andsurfacereactionkinetics,(3)mechano-electricalcoupling,e.g.,strainenhancementsincarrier mobility ofsomeofthelatestinvestigationsinthiscouplingphenomenon,withapplications to solid oxide fuel and electrolysis cells, aswellas Li ion batteries. Asummary of the book chapters is presented below. Thesecondchaptercoversexperimentalmethodsthathavebeentheworkhorses of bulk ceramic studies. These methods include thermogravimetric analysis (TGA) and coulometric titration for examining oxygen content, and dilatometry to evaluate the corresponding defect induced expansion. Coupling these methods together over a wide range of oxygen partial pressure and temperature studies enables characterization of a key chemo-mechanical figure of merit, the chemical expansion coefficient, also known as the stoichiometric expansion coefficient [3]. Chapters 3 and 4 focus on the use of X-ray diffraction (XRD) and neutron diffraction(ND)experiments,respectively,todirectlyquantifychemicalexpansion of the crystal lattice. These techniques have the advantage of readily evaluating anisotropicexpansionand,particularlyforND,determiningatomicpositions.Over thepastfewdecades,thesetechniqueshavebeenimprovedtoaccommodateinsitu measurements (i.e., elevated temperatures to greater than 1000 °C in controlled atmospheres). As thin films have increased in popularity due to the ability to constrainfilmswithverylargestrainsbycontrollingthesubstrate,techniques,such as XRD, have proven invaluable for their characterization. In Chap. 5, wafer cur- vature, an in situ method for examining the stress of thin films, is introduced. In additiontoevaluatingelasticpropertiesoffilms,whencoupledwithXRDanalysis, wafercurvatureprovidesanoncontactmethodforevaluatingthekineticsofoxygen uptakeandreleaseinthinfilms,akeyelectrochemicalfigureofmeritforsolidoxide