Electrochemical Engineering

This volume in the "Advances in Electrochemical Sciences and Engineering" series focuses on problem-solving, illustrating how to translate basic science into engineering solutions. The book's concept is to bring together engineering solutions across the range of nano-bio-photo-micro applications, with each chapter co-authored by an academic and an industrial expert whose collaboration led to reusable methods that are relevant beyond their initial use. Examples of experimental and/or computational methods are used throughout to facilitate the task of moving atomistic-scale discoveries and understanding toward well-engineered products and processes based on electrochemical phenomena.

Autorentext

Richard C. Alkire is Professor Emeritus of Chemical & Biomolecular Engineering Charles and Dorothy Prizer Chair at the University of Illinois, Urbana, USA. He obtained his degrees at Lafayette College and University of California at Berkeley. He has received numerous prizes, including Vittorio de Nora Award and Lifetime National Associate award from National Academy.

Philip N. Bartlett is Head of the Electrochemistry Section, Deputy Head of Chemistry for Strategy, and Associate Dean for Enterprise in the Faculty of Natural and Environmental Sciences at the University of Southampton. He received his PhD from Imperial College London and was a Lecturer at the University of Warwick and a Professor for Physical Chemistry at the University of Bath, before moving to his current position. His research interests include bioelectrochemistry, nanostructured materials, and chemical sensors.

Marc Koper studied chemistry at Utrecht University and obtained his PhD (cum laude) with Prof. J.H. Sluyters from Utrecht University. He was a postdoctoral Marie Curie Fellow in the group of Prof. W. Schmickler at the University of Ulm (Germany). He then returned to the Netherlands to join the group of Prof. R.A. van Santen at Eindhoven University of Technology, where he initially was a Fellow of the Royal Netherlands Academy of Arts and Sciences and later associate professor. In 2005 he was appointed full professor in fundamental surface science at Leiden University.

Inhalt

Series Preface xi

Preface xiii

**1 Introductory Perspectives 1
**A. Paul Alivisatos andWojciech T. Osowiecki

References 4

**2 The Joint Center for Energy Storage Research: A New Paradigm of Research, Development, and Demonstration 7
**Thomas J. Carney, Devin S. Hodge, Lynn Trahey, and Fikile R. Brushett

2.1 Background and Motivation 7

2.2 Lithium-ion Batteries: Current State of the Art 8

2.3 Beyond Li-Ion Batteries 9

2.4 JCESR Legacies and a New Paradigm for Research 9

2.5 The JCESR Team 13

2.6 JCESR Operational Tools 16

2.7 Intellectual Property Management 17

2.8 Communication Tools 17

2.9 JCESR Change Decision Process 17

2.10 Safety in JCESR 19

2.11 Battery Technology Readiness Level 20

2.12 JCESR Deliverables 21

2.13 Scientific Tools in JCESR 22

2.14 Techno-economic Modeling 23

2.14.1 Techno-economic Modeling of a MetalAir System for Transportation Applications 23

2.14.2 Techno-economic Modeling of Flow Batteries for Grid Storage Applications 25

2.15 The Electrochemical Discovery Laboratory 27

2.15.1 The Effect of TraceWater on Beyond Li-ion Devices 27

2.15.2 Stability of Redox Active Molecules 28

2.16 Electrolyte Genome 28

2.16.1 Screening of Redox Active Molecules for Redox Flow 29

2.16.2 Examination of Multivalent Intercalation Materials 30

2.17 Combining the Electrolyte Genome with Techno-economic Modeling 31

2.18 Prototype Development 31

2.19 Legacy of JCESR 33

2.20 Conclusion 34

Acknowledgments 34

References 34

**3 Determination of Redox Reaction Mechanisms in LithiumSulfur Batteries 41
**Kevin H.Wujcik, Dunyang R.Wang, Alexander A. Teran, Eduard Nasybulin, Tod A. Pascal, David Prendergast, and Nitash P. Balsara

3.1 Basics of LithiumSulfur Chemistry 41

3.2 End Products of Electrochemical Reactions in the Sulfur Cathode 44

3.3 Intermediate Products of Electrochemical Reactions in the Sulfur Cathode 45

3.3.1 Reactions of S8 45

3.3.2 Reactions of Li2S8 46

3.3.3 Reactions of Li2S4 47

3.3.4 Reactions of Li2S2 48

3.3.5 Production of Radical Anions 49

3.4 Fingerprinting Lithium Polysulfide Intermediates 49

3.4.1 X-ray Absorption Spectroscopy 50

3.4.2 Electron Paramagnetic Resonance Spectroscopy 53

3.4.3 UVVis Spectroscopy 54

3.4.4 Raman Spectroscopy 57

3.4.5 Nuclear Magnetic Resonance Spectroscopy 57

3.5 In Situ Spectroscopic Studies of LiS Batteries 58

3.5.1 X-ray Absorption Spectroscopy 58

3.5.2 Electron Paramagnetic Resonance Spectroscopy 59

3.5.3 UVVis Spectroscopy 60

3.5.4 Raman Spectroscopy 60

3.5.5 Nuclear Magnetic Resonance Spectroscopy 61

3.6 Practical Considerations 62

3.7 Concluding Remarks 64

Acknowledgment 68

References 68

**4 From the Lab to Scaling-up Thin Film Solar Absorbers 75
**Hariklia Deligianni, Lubomyr T. Romankiw, Daniel Lincot, and Pierre-Philippe Grand

4.1 Introduction 75

4.2 State-of-the-art Electrodeposition for Photovoltaics 79

4.2.1 Electrodeposited CuInGaSe2 (CIGS) 80

4.2.1.1 Metal Layers 80

4.2.1.2 Electrodeposition of Copper 81

4.2.1.3 Electrodeposition of Indium 82

4.2.1.4 Electrodeposition of Gallium 85

4.2.2 Single CuInGaSeO Multicomponent Chemistries 89

4.2.2.1 CuInSe Co-deposition 89

4.2.2.2 CuInGaSe Co-deposition 91

4.2.2.3 CuInGaO Co-deposition 92

4.2.2.4 CuInGa Co-deposition 93

4.2.3 AnnealingMethods 93

4.2.4 Fabrication of Solar Cells 95

4.3 Electrodeposited Cu2ZnSn(Se,S)4 (CZTS) and Emerging Materials 97

4.3.1 Cu2ZnSn(Se,S)4 (CZTS) 97 4.4 From the Rotating D...