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DEFECTS IN TWO-DIMENSIONAL MATERIALS This page intentionally left blank Materials Today DEFECTS IN TWO-DIMENSIONAL MATERIALS Editedby Rafik Addou Luigi Colombo Elsevier Radarweg29,POBox211,1000AEAmsterdam,Netherlands TheBoulevard,LangfordLane,Kidlington,OxfordOX51GB,UnitedKingdom 50HampshireStreet,5thFloor,Cambridge,MA02139,UnitedStates Copyright©2022ElsevierInc.Allrightsreserved. Nopartofthispublicationmaybereproducedortransmittedinanyformorbyanymeans,electronicormechanical, includingphotocopying,recording,oranyinformationstorageandretrievalsystem,withoutpermissioninwritingfromthe publisher.Detailsonhowtoseekpermission,furtherinformationaboutthePublisher’spermissionspoliciesandour arrangementswithorganizationssuchastheCopyrightClearanceCenterandtheCopyrightLicensingAgency,canbefound atourwebsite:www.elsevier.com/permissions. ThisbookandtheindividualcontributionscontainedinitareprotectedundercopyrightbythePublisher(otherthanasmay benotedherein). Notices Knowledgeandbestpracticeinthisfieldareconstantlychanging.Asnewresearchandexperiencebroadenour understanding,changesinresearchmethods,professionalpractices,ormedicaltreatmentmaybecomenecessary. Practitionersandresearchersmustalwaysrelyontheirownexperienceandknowledgeinevaluatingandusingany information,methods,compounds,orexperimentsdescribedherein.Inusingsuchinformationormethodstheyshouldbe mindfuloftheirownsafetyandthesafetyofothers,includingpartiesforwhomtheyhaveaprofessionalresponsibility. Tothefullestextentofthelaw,neitherthePublishernortheauthors,contributors,oreditors,assumeanyliabilityforany injuryand/ordamagetopersonsorpropertyasamatterofproductsliability,negligenceorotherwise,orfromanyuseor operationofanymethods,products,instructions,orideascontainedinthematerialherein. LibraryofCongressCataloging-in-PublicationData AcatalogrecordforthisbookisavailablefromtheLibraryofCongress BritishLibraryCataloguing-in-PublicationData AcataloguerecordforthisbookisavailablefromtheBritishLibrary ISBN:978-0-12-820292-0 ForinformationonallElsevierpublications visitourwebsiteathttps://www.elsevier.com/books-and-journals Publisher:MatthewDeans AcquisitionsEditor:KaylaDosSantos EditorialProjectManager:RachelPomery ProductionProjectManager:DebasishGhosh Designer:ChristianJ.Bilbow TypesetbyVTeX Contents List of contributors ix 3.1 Introduction 43 About the editors xi 3.2 Borophene 45 Preface xiii 3.3 Silicene 49 3.4 Germanene 52 1. Introduction 3.5 Stanene 55 3.6 Plumbene 57 RAFIKADDOUANDLUIGICOLOMBO 3.7 Phosphorene 59 3.8 Arsenene(h-As)andAntimonene 2. Physicsandtheoryofdefectsin2D (h-Sb) 64 materials:theroleofreduceddimensionality 3.9 Bismuthene 70 3.10 Seleneneandtellurene 72 HANNU-PEKKAKOMSAAND 3.11 Gallenene 75 ARKADYV.KRASHENINNIKOV 3.12 Hafnene 77 2.1 Introduction 7 3.13 Conclusionsandoutlook 78 2.2 Classificationofdefects 8 References 79 2.3 Insightsintotheatomicstructuresofdefects fromscanningtunnelingandtransmission 4. Defectsintransitionmetal electronmicroscopyexperiments 10 dichalcogenides 2.4 Productionofdefectsintwo-dimensional STEPHENMCDONNELLANDPETRAREINKE materialsunderelectronandion irradiation 11 4.1 Introduction 89 2.5 Examplesofdefectsintwo-dimensional 4.2 Pointdefects 89 materials 12 4.3 Impurities 94 2.6 Theoreticalaspectsofthephysicsofdefects 4.4 Linedefects 104 inbulkcrystallinesolidsandtwo-dimensional 4.5 Controlofdefectsandtheir materials 18 applications 107 2.7 Calculationsofdefectformationenergiesand 4.6 Summary 109 electronicstructureusingthesupercell References 110 approach 21 2.8 Electronicstructureof2Dmaterialswith defects 26 5. Realizationofelectronicgradegraphene 2.9 Pointdefectsandvibrationalpropertiesof2D andh-BN materialsfromatomisticsimulations 32 VITALIYBABENKOANDSTEPHANHOFMANN 2.10 Conclusionsandoutlook 34 References 37 5.1 Challengesoverview:growth,transfer,and integration 119 3. Defectsintwo-dimensionalelemental 5.2 Apparatusandmethodology materialsbeyondgraphene overview 121 PAOLADEPADOVA,BRUNOOLIVIERI,CARLOOTTAVIANI, 5.3 Scalablegrowthbychemicalvapor CLAUDIOQUARESIMA,YIDU, deposition 124 MIECZYSŁAWJAŁOCHOWSKI,ANDMARIUSZKRAWIEC v vi Contents 5.4 Materialoptimization 136 8.4 Heterogeneityintroducedbythe 5.5 Conclusionsandoutlook 149 self-assemblyofnanoscale‘building References 149 blocks’ 241 8.5 Theeffectsofkineticenergyondefectsand 6. Realizationofelectronic-grade doping:hyperthermalimplantationforthe formationofJanusmonolayers 247 two-dimensionaltransitionmetal 8.6 Summaryandoutlook 250 dichalcogenidesbythin-filmdeposition References 252 techniques YU-CHUANLIN,RICCARDOTORSI, 9. Two-dimensionalmaterialsunderion NICHOLASA.SIMONSON,AZIMKHANKOZHAKHMETOV, irradiation:fromdefectproductionto ANDJOSHUAA.ROBINSON structureandpropertyengineering 6.1 Currentchallengesintransitionmetal MAHDIGHORBANI-ASL,SILVANKRETSCHMER,AND dichalcogenidesynthesis 159 ARKADYV.KRASHENINNIKOV 6.2 Currentsynthesistechniques 161 6.3 Controllingnucleationandcrystal 9.1 Introduction 259 growth 170 9.2 Responseoftwo-dimensionalmaterialstoion 6.4 Materialsengineering 175 irradiation:theoreticalaspects 261 6.5 Summary 182 9.3 Experimentsonionirradiationof References 183 two-dimensionalmaterials 273 9.4 Applications 285 7. Materialsengineering–defecthealing& 9.5 Summary,challenges,andoutlook 289 passivation References 291 YULIHUANG,REBEKAHCHUA,AND 10. Tailoringdefectsin2Dmaterialsfor ANDREWTHYESHENWEE electrocatalysis 7.1 Introduction 195 LEPINGYANG,YUCHIWAN,ANDRUITAOLV 7.2 Defectformationandhealingin2D TMDs 196 10.1 Introduction 303 7.3 Defectengineeringbychemicaltreatment 10.2 Defect-tailored2Delectrocatalystsfor andapplications 201 hydrogenevolutionreaction(HER) 304 7.4 Defectcontrolbyexternalsources 207 10.3 Defect-tailored2Delectrocatalystsforoxygen 7.5 Futureperspectives 213 evolutionreaction(OER) 311 References 214 10.4 Defect-tailored2Delectrocatalystsfor nitrogenreductionreaction(NRR) 317 8. Nonequilibriumsynthesisandprocessing 10.5 Defect-tailored2Delectrocatalystsforcarbon approachestotailorheterogeneityin2D dioxidereductionreaction(CO2RR) 325 materials 10.6 Challengesandperspectivesofdefect engineeringfor2Delectrocatalysts 330 DAVIDB.GEOHEGAN,KAIXIAO,ALEXA.PURETZKY, References 332 YU-CHUANLIN,YILINGYU,ANDCHENZELIU 8.1 Introduction 221 11. Devicesanddefectsintwo-dimensional 8.2 Non-equilibriumsynthesis–effectsof materials:outlookandperspectives chemicalpotentialontheheterogeneityof AMRITESHRAI,ANUPAMROY,AMITHRAJVALSARAJ, 2Dmaterials 224 SAYEMACHOWDHURY,DEEPYANTITANEJA, 8.3 Straininducedphenomenain2D YAGUOWANG,LEONARDFRANKREGISTER,AND materials 234 SANJAYK.BANERJEE vii Contents 11.1 Introduction 339 11.7 Theoreticalinvestigationofdefectsin2D 11.2 Defectcharacterizationin2DTMDsusing TMDs 378 ultrafastpump-probespectroscopy 341 References 387 11.3 Devicesfabricatedon2DCVD-grown TMDs 348 12. Concludingremarks 11.4 DevicesfabricatedonMBE-grown TMDs 355 RAFIKADDOUANDLUIGICOLOMBO 11.5 2DvanderWaals(vdW) heterostructures 359 Index 411 11.6 Enhancing2Ddeviceperformanceusing defectengineering 364 This page intentionally left blank List of contributors RafikAddou UniversityofTexasatDallas,Richard- AzimkhanKozhakhmetov ThePennsylvaniaState son,TX,UnitedStates University,UniversityPark,PA,UnitedStates Vitaliy Babenko DepartmentofEngineering,Uni- Arkady V. Krasheninnikov Helmholtz-Zentrum versityofCambridge,Cambridge,UnitedKingdom Dresden-Rossendorf,InstituteofIonBeamPhysics Sanjay K. Banerjee Microelectronics Research andMaterialsResearch,Dresden,Germany DepartmentofAppliedPhysics,AaltoUniversity, Center and Department of Electrical and Com- Aalto,Finland puter Engineering, The University of Texas at Austin,Austin,TX,UnitedStates MariuszKrawiec InstituteofPhysics,MariaCurie- SklodowskaUniversity,Lublin,Poland Sayema Chowdhury Microelectronics Research Center and Department of Electrical and Com- Silvan Kretschmer Helmholtz-Zentrum Dresden- puter Engineering, The University of Texas at Rossendorf,InstituteofIonBeamPhysicsandMa- Austin,Austin,TX,UnitedStates terialsResearch,Dresden,Germany Rebekah Chua Department of Physics, National Yu-ChuanLin ThePennsylvaniaStateUniversity, UniversityPark,PA,UnitedStates UniversityofSingapore,Singapore,Singapore Functional Hybrid Nanomaterials Group, Center Luigi Colombo University of Texas at Dallas, forNanophaseMaterialsSciences,OakRidgeNa- Richardson,TX,UnitedStates tionalLaboratory,OakRidge,TN,UnitedStates PaolaDePadova IstitutodiStrutturadellaMateria- Chenze Liu Functional Hybrid Nanomaterials CNR(ISM-CNR),Rome,Italy Group,Centerfor Nanophase Materials Sciences, LNF-INFN,Frascati,Rome,Italy Oak Ridge National Laboratory, Oak Ridge, TN, Yi Du ISEM-AIIM and Innovation Campus, Uni- UnitedStates versity of Wollongong, Wollongong, NSW, Aus- Ruitao Lv State Key Laboratory of New Ceram- tralia ics and Fine Processing, School of Materials Sci- DavidB.Geohegan FunctionalHybridNanomate- ence and Engineering, Tsinghua University, Bei- rials Group, Center for Nanophase Materials Sci- jing,China ences,OakRidgeNationalLaboratory,OakRidge, Stephen McDonnell Department of Materials Sci- TN,UnitedStates ence and Engineering, University of Virginia, MahdiGhorbani-Asl Helmholtz-ZentrumDresden- Charlottesville,VA,UnitedStates Rossendorf,InstituteofIonBeamPhysicsandMa- BrunoOlivieri CNR-ISAC,Rome,Italy terialsResearch,Dresden,Germany CarloOttaviani IstitutodiStrutturadellaMateria- Stephan Hofmann Department of Engineering, CNR(ISM-CNR),Rome,Italy University of Cambridge, Cambridge, United Alex A. Puretzky Functional Hybrid Nanomate- Kingdom rials Group, Center for Nanophase Materials Sci- YuLiHuang DepartmentofPhysics,NationalUni- ences,OakRidgeNationalLaboratory,OakRidge, versityofSingapore,Singapore,Singapore TN,UnitedStates MieczysławJałochowski InstituteofPhysics,Maria Claudio Quaresima Istituto di Struttura della Curie-SklodowskaUniversity,Lublin,Poland Materia-CNR(ISM-CNR),Rome,Italy Hannu-Pekka Komsa Department of Applied Amritesh Rai Microelectronics Research Center Physics,AaltoUniversity,Aalto,Finland andDepartmentofElectricalandComputerEngi- ix