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Advances in photoelectrochemical water splitting: theory, experiment and systems analysis PDF

302 Pages·2018·12.212 MB·English
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Advances in Photoelectrochemical Water Splitting Theory, Experiment and Systems Analysis 1 0 0 P F 3- 6 8 9 2 6 2 8 7 1 8 7 9 9/ 3 0 1 0. 1 oi: d g | or c. s s.r b u p p:// htt n o 8 1 0 2 pril A 9 0 n o d e h s bli u P View Online Energy and Environment Series Editor-in-chief: Heinz Frei, Lawrence Berkeley National Laboratory, USA 01 Series editors: 0 P F Nigel Brandon OBE FREng, Imperial College London, UK 3- 6 Roberto Rinaldi, Imperial College London, UK 8 9 2 Vivian Wing-Wah Yam, University of Hong Kong, Hong Kong 6 2 8 7 81 Titles in the series: 7 9 9/ 1: Thermochemical ConversionofBiomasstoLiquid FuelsandChemicals 3 10 2: Innovations in Fuel Cell Technologies 0. 1 3: Energy Crops doi: 4: Chemical and Biochemical Catalysis for Next Generation Biofuels org | 5: Molecular Solar Fuels c. 6: Catalysts for Alcohol-Fuelled Direct Oxidation Fuel Cells s bs.r 7: Solid Oxide Fuel Cells: From Materials to System Modeling u p://p 8:SolarEnergyConversion:DynamicsofInterfacialElectronandExcitation htt Transfer n 9: Photoelectrochemical Water Splitting: Materials, Processes and o 18 Architectures 0 April 2 10:BfrioomlogNicaatulrCaolnUvteirlisziaotnioonfBSyiostmemasssforFuelsandChemicals:Explorations 09 11: Advanced Concepts in Photovoltaics n o 12: Materials Challenges: Inorganic Photovoltaic Solar Energy d he 13: Catalytic Hydrogenation for Biomass Valorization s bli 14: Photocatalysis: Fundamentals and Perspectives u P 15: Photocatalysis: Applications 16: Unconventional Thin Film Photovoltaics 17: Thermoelectric Materials and Devices 18:X-RayFreeElectronLasers:ApplicationsinMaterials,ChemistryandBiology 19: Lignin Valorization: Emerging Approaches 20: Advances in Photoelectrochemical Water Splitting: Theory, Experiment and Systems Analysis How to obtain future titles on publication: Astandingorderplanisavailableforthisseries.Astandingorderwillbring delivery of each new volume immediately on publication. For further information please contact: BookSalesDepartment,RoyalSocietyofChemistry,ThomasGrahamHouse, Science Park, Milton Road, Cambridge, CB4 0WF, UK Telephone: þ44 (0)1223 420066, Fax: þ44 (0)1223 420247 Email: [email protected] Visit our website at www.rsc.org/books View Online Advances in Photoelectrochemical Water Splitting Theory, Experiment and Systems Analysis 1 0 0 P F 3- 6 8 9 2 6 2 8 7 Edited by 1 8 7 9 9/ 3 S. David Tilley 0 1 0. University of Zurich, Switzerland 1 oi: Email: [email protected] d g | or c. Stephan Lany s s.r National Renewable Energy Laboratory, CO, USA b u p Email: [email protected] p:// htt n and o 8 1 0 April 2 RHeolemlhvoaltnz ZdenetrKurmolBerlin, Germany 9 0 Email: [email protected] n o d e h s bli u P View Online 1 0 0 P F 3- 6 8 9 2 6 2 8 7 1 8 97 EnergyandEnvironmentSeriesNo.20 9/ 3 0 0.1 PrintISBN:978-1-78262-925-2 oi:1 PDFISBN:978-1-78262-986-3 d EPUBISBN:978-1-78801-446-5 g | ISSN:2044-0774 or c. s s.r AcataloguerecordforthisbookisavailablefromtheBritishLibrary b u p p:// rTheRoyalSocietyofChemistry2018 htt on Allrightsreserved 8 1 0 2 Apartfromfairdealingforthepurposesofresearchfornon-commercialpurposesorfor pril privatestudy,criticismorreview,aspermittedundertheCopyright,DesignsandPatents 9 A Act1988andtheCopyrightandRelatedRightsRegulations2003,thispublicationmaynot n 0 bereproduced,storedortransmitted,inanyformorbyanymeans,withouttheprior d o permissioninwritingofTheRoyalSocietyofChemistry,orinthecaseofreproductionin he accordancewiththetermsoflicencesissuedbytheCopyrightLicensingAgencyintheUK, s bli orinaccordancewiththetermsofthelicencesissuedbytheappropriateReproduction Pu RightsOrganizationoutsidetheUK.Enquiriesconcerningreproductionoutsidethe termsstatedhereshouldbesenttoTheRoyalSocietyofChemistryattheaddress printedonthispage. Whilstthismaterialhasbeenproducedwithallduecare,TheRoyalSocietyofChemistry cannotbeheldresponsibleorliableforitsaccuracyandcompleteness,norforany consequencesarisingfromanyerrorsortheuseoftheinformationcontainedinthis publication.Thepublicationofadvertisementsdoesnotconstituteanyendorsementby TheRoyalSocietyofChemistryorAuthorsofanyproductsadvertised.Theviewsand opinionsadvancedbycontributorsdonotnecessarilyreflectthoseofTheRoyalSociety ofChemistrywhichshallnotbeliableforanyresultinglossordamagearisingasa resultofrelianceuponthismaterial. TheRoyalSocietyofChemistryisacharity,registeredinEnglandandWales, Number207890,andacompanyincorporatedinEnglandbyRoyalCharter (RegisteredNo.RC000524),registeredoffice:BurlingtonHouse,Piccadilly, LondonW1J0BA,UK,Telephone:þ44(0)20743786556. Forfurtherinformationseeourwebsiteatwww.rsc.org PrintedintheUnitedKingdombyCPIGroup(UK)Ltd,Croydon,CR04YY,UK 5 0 0 P 3-F Preface 6 8 9 2 6 2 8 7 1 8 7 9 9/ 3 0 0.1 Researchactivities inphotoelectrochemical (PEC) water splitting have risen 1 oi: dramaticallyinrecentyears.Althoughthelion’sshareofresearcheffortshas d g | centeredonthesynthesisandcharacterisationofPECmaterialswithanaim or ofimprovingthesolarconversionefficiency,newdirectionswithinthefield c. s.rs have emerged, ranging from theoretical studies for new materials discovery b u all the way to systems analysis on the gigawatt scale. Our objective, as p p:// editors, was to bring together the leading experts in the field to provide an htt authoritativeandforward-lookingsurveyofthedifferentapproachestoPEC n 8 o water splitting, with particular emphasis on key issues and unsolved prob- 1 0 lems. This book summarises the present-day challenges that need to be 2 pril solved before PEC water splitting can make the transition from the labora- 9 A tory to large-scale application. 0 n Theory plays a very important role in the further development of high o d performance PEC systems, through e.g. prediction of band alignments with e h s the electrolyte, assessment of thestability of different materials at different bli u pHandunderbias,andthediscoveryofnovelmaterialswithattractiveband P gaps, stability, carrier transport and charge transfer. Although great strides have been made with empirical investigation of various semiconductors as well as combinatorial studies, theoretical approaches have the potential to greatlyaccelerateprogressinthisfield.Thefirstpartofthebookhighlights some of these theoretical efforts. Recentexperimentaldevelopmentscomprisethesecondpartofthebook. Fundamental understanding of water splitting electrodes under operation are critical to the long-term goal of stable and efficient systems, and two chaptersaddressthistopic.Thefollowingchaptersfocusonthelowcostand scalablesynthesisofwatersplittingmaterials,aswellasbipolarmembranes, which allow increased flexibility of the electrolyte for each half reaction, greatly influencing the overall stability of the PEC cell. EnergyandEnvironmentSeriesNo.20 AdvancesinPhotoelectrochemicalWaterSplitting:Theory,ExperimentandSystemsAnalysis EditedbyS.DavidTilley,StephanLanyandRoelvandeKrol rTheRoyalSocietyofChemistry2018 PublishedbytheRoyalSocietyofChemistry,www.rsc.org v View Online vi Preface The final part of the book focuses on systems analysis, which provides a roadmap of where we hope the fundamental research will lead us. These analysesprovideimportantinformationforprioritisingdifferentavenuesof present-day basic research, including PEC cell architecture and practical matters for scaling up these systems. 5 0 Withawideviewofthefield—rangingfromtheoryallthewaytosystems 0 P F analysis—we feel that the reader will gain a crucial insight into the re- 3- 6 maining challenges for the PEC field, and find guidance for present-day 8 9 2 research aims. 6 2 8 I would like to thank the authors of this book, as well as my co-editors 7 1 8 DrStephanLanyandProf. Roelvan deKrolfor theirtime andeffort inthis 7 9 9/ project. It is my hope that this book will become a key text that will inspire 3 10 current researchers as well as newcomers to the field towards the advance- 10. ment of practical systems to the market place. oi: d g | S. David Tilley or c. Zurich s s.r b u p p:// htt n o 8 1 0 2 pril A 9 0 n o d e h s bli u P 7 0 0 P 3-F Contents 6 8 9 2 6 2 8 7 1 8 7 9 9/ Chapter1 TheChallengeofWaterSplittinginViewofPhotosynthetic 3 0 1 Reality and of Research Trends 1 0. 1 oi: H. Tributsch d g | or 1.1 Introduction 1 c. s.rs 1.2 The Evolution of Natural Photosynthetic Water b u Splitting: The Most Remarkable Facts 4 p p:// 1.2.1 The Missing Overpotential in htt n Photosynthesis: What Is the Evidence? 7 o 8 1.3 How Can Photosynthetic Water Oxidation Be 1 0 April 2 M1.3o.r1e ETffihceiremntodTyhnaanmTieccshonficPahlo?to-induced 9 09 Water Splitting 10 n d o 1.3.2 How Did Evolution Optimise Photosynthetic e h Water Oxidation? 11 s ubli 1.3.3 How Could Such a Self-organisation P Mechanism Be Experimentally Dealt With? 13 1.4 Progress with Artificial Photo-electrochemical Water Splitting 15 1.5 Bio-mimetic Approaches Require Progress in Non-equilibrium, Irreversible Thermodynamics 19 1.5.1 A Paradigm Change Towards a Fundamental Time Arrow Is Needed 21 References 25 EnergyandEnvironmentSeriesNo.20 AdvancesinPhotoelectrochemicalWaterSplitting:Theory,ExperimentandSystemsAnalysis EditedbyS.DavidTilley,StephanLanyandRoelvandeKrol rTheRoyalSocietyofChemistry2018 PublishedbytheRoyalSocietyofChemistry,www.rsc.org vii View Online viii Contents Chapter 2 Theoretical Design of PEC Materials 29 Junjie Wang, Pakpoom Reunchan, Wei Zhou and Naoto Umezawa 2.1 Introduction 29 7 00 2.2 Effects of Doping in Photocatalyst 34 P 3-F 2.2.1 Chromium Doping in SrTiO3 34 6 8 2.2.2 Sulfur and Silicon Doping in Ag PO 37 9 3 4 2 26 2.3 Band Structure Design of Highly Efficient 8 17 Photocatalysis by Strain Engineering 41 8 7 9 2.3.1 Strain Engineering for Single-layer SnS 41 9/ 2 03 2.3.2 Strain Engineering for Layered SnO 45 1 10. 2.4 Exploration of Photofunctional Materials doi: Employing Evolutional Structure Search 47 g | 2.4.1 Mixed Valence Tin Oxides as Novel or sc. Photocatalysts 47 bs.r 2.4.2 Determination of Crystal Structures of u p p:// Graphitic Carbon Nitride 52 htt 2.5 Conclusions 57 n 8 o Acknowledgements 58 1 0 References 58 2 pril A 9 Chapter 3 Computational Screening of Light-absorbing 0 n Materials for Photoelectrochemical o ed Water Splitting 62 h blis Ivano E. Castelli, Korina Kuhar, Mohnish Pandey and u P Karsten W. Jacobsen 3.1 Introduction 62 3.2 Density Functional Theory and High-throughput Screening 65 3.3 Screening Descriptors and Criteria 68 3.3.1 Abundance,CostandHerfindahl–Hirschman Index 69 3.3.2 Toxicity 70 3.3.3 Stability 71 3.3.4 Electronic Properties 72 3.3.5 Direct Calculation of Light Absorption 76 3.3.6 Interfaces 78 3.4 Materials Investigated 79 3.4.1 Perovskites 81 3.4.2 Electronic Properties of Existing Materials 90 3.4.3 2D Materials 91 View Online Contents ix 3.5 Conclusions and Perspectives 92 Acknowledgements 93 References 93 Chapter 4 Unravelling the Charge Transfer Mechanism in Water 7 00 Splitting Hematite Photoanodes 100 P F 3- Hamed Hajibabaei, Yuan Gao and Thomas W. Hamann 6 8 9 2 6 4.1 Introduction 100 2 8 17 4.2 Photoelectrochemical Methods 102 8 97 4.2.1 Current Density—Voltage (J–V) Curve 9/ 3 Measurements 102 0 1 0. 4.2.2 Current Transient Measurements 103 1 oi: 4.2.3 Cyclic Voltammetry (CV) Surface d g | Measurements 106 or c. 4.2.4 Electrochemical Impedance s bs.r Spectroscopy (EIS) 107 u p p:// 4.2.5 Intensity Modulated Photocurrent htt Spectroscopy (IMPS) 109 n o 4.3 Mechanism of Water Oxidation 111 8 1 0 4.3.1 PEC Water Oxidation on Hematite 2 pril Photoanode 111 A 9 4.3.2 Photochemical Water Oxidation on 0 n Iron-based Homogeneous Catalysts 114 o ed 4.3.3 Determination of Water Oxidation h s bli Intermediates via Operando Infrared u P Spectroscopy 115 4.4 Ternary Metal Oxides for PEC Water Oxidation 119 4.4.1 CuWO 119 4 4.4.2 BiVO 120 4 4.5 Outlook 121 4.6 Summary 122 Acknowledgements 122 References 122 Chapter 5 Rate Law Analysis of Water Splitting Photoelectrodes 128 Laia Franca`s, Camilo A. Mesa, Ernest Pastor, Florian Le Formal and James R. Durrant 5.1 Introduction 128 5.1.1 RateLawAnalysisforSolarFuelsProduction 128 5.1.2 Kinetic Model 130 5.1.3 Experimental Set-up 134 View Online x Contents 5.2 Case Studies 135 5.2.1 Oxidation Reactions 136 5.2.2 Reduction Reactions: Proton Reduction on [Cu O]/RuO 152 2 x 5.3 Conclusions 159 7 0 0 Acknowledgements 159 P F 3- References 159 6 8 9 2 26 Chapter 6 Emerging Semiconductor Oxides for Direct Solar 8 17 Water Splitting 163 8 7 9 K. Sivula 9/ 3 0 1 0. 6.1 Introduction 163 1 oi: 6.2 Bismuth Vanadate 166 d g | 6.3 Multinary Ferrites 169 or c. 6.4 Copper-based Oxides 171 s bs.r 6.5 Delafossites 173 u p p:// 6.6 Strategies for Improving Multinary Oxides 176 htt 6.7 Outlook for Multinary Oxides 177 n o References 178 8 1 0 2 pril Chapter 7 Particulate Photocatalyst Sheets for Efficient and A Scalable Water Splitting 183 9 0 n Takashi Hisatomi and Kazunari Domen o d e h blis 7.1 Introduction 183 Pu 7.2 Photocatalyst Sheets Based on SrTiO3:La,Rh and BiVO 184 4 7.2.1 Preparation and Structure 184 7.2.2 Z-Scheme Water Splitting Based on Electron Transfer via an Underlying Conductor 187 7.2.3 Comparison with Powder Suspensions and Photoelectrode Systems 189 7.2.4 Influence of the Reaction Conditions on the Water Splitting Activity 190 7.2.5 Carbon Conductor-based Sheets Operable at Ambient Pressure 192 7.2.6 Simulation of Band Diagrams and Carrier Density Distributions 194 7.3 Approaches to the Development of Photocatalyst Sheets Based on Narrow Band Gap Photocatalysts 197 7.3.1 LaMg Ta O N as a Hydrogen Evolution 1/3 2/3 2 Photocatalyst 197

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