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SOLAR FUELS In this book, you will have the opportunity to have comprehensive knowledge about the use of energy from the sun, which is our source of life, by converting it into different chemical fuels as well as catching up with the latest technology. The most important obstacle to solar meeting all our energy needs is that solar energy is not always accessible and, therefore, cannot be used when needed. Consequently, the conversion of solar energy into chemical energy, which has become increasingly important in recent years, is a groundbreaking topic in the field of renewable energy. This type of chemical energy is called solar fuel. Hydrogen, methanol, methane, and carbon monoxide are among the solar fuels, which can be produced via solar-thermal, artificial photosynthesis, photocatalytic or photoelectrochemical routes. Solar Fuels compiles the objectives related to the new semiconductor materials and manufacturing techniques for solar fuel generation. Chapters are written by distinguished authors who have extensive experience in their fields. A multidisciplinary contributor profile, including chemical engineering, materials science, environmental engineering, and mechanical and aerospace engineering provides a broader point of view and coverage of the topic. Therefore, readers absolutely will have a chance to learn about not only the fundamentals, but also the various aspects of materials science and manufacturing technologies for solar fuel production. Moreover, readers from diverse fields should take advantage of this book to comprehend the impacts of solar energy conversion in chemical form. Audience The book will be of interest to a multidisciplinary group of fields in industry and academia, including physics, chemistry, materials science, biochemical engineering, optoelectronic information, photovoltaic and renewable energy engineering, electrochemistry, electrical engineering, and mechanical and manufacturing engineering.

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Contents

Cover

Series Page

Title Page

Copyright Page

Preface

Part I: Solar Thermochemical and Concentrated Solar Approaches

1 Materials Design Directions for Solar Thermochemical Water Splitting

1.1 Introduction

1.2 Theoretical Methods

1.3 The State-of-the-Art Redox-Active Metal Oxide

1.4 Next-Generation Perovskite Redox-Active Materials

1.5 Materials Design Directions

1.6 Conclusions

Acknowledgments

Appendices

References

2 Solar Metal Fuels for Future Transportation

2.1 Introduction

2.2 Direct Combustion of Solar Metal Fuels

2.3 Regeneration of Metal Fuels Through the Solar Reduction of Oxides

2.4 Conclusions

Acknowledgments

References

3 Design Optimization of a Solar Fuel Production Plant by Water Splitting With a Copper-Chlorine Cycle

3.1 Introduction

3.2 System Description

3.3 Mathematical Modeling and Optimization

3.4 Results and Discussion

3.5 Conclusions

References

4 Diversifying Solar Fuels: A Comparative Study on Solar Thermochemical Hydrogen Production Versus Solar Thermochemical Energy Storage Using Co

3

O

4

4.1 Introduction

4.2 Materials and Methods

4.3 Thermodynamics of Direct Decomposition of Water

4.4 A Critical Analysis of Two-Step Thermochemical Water Splitting Cycles Through the Red/Ox Properties of Co

3

O

4

4.5 Cyclic Thermal Energy Storage Using Co

3

O

4

4.6 Conclusions

Acknowledgements

References

Part II: Artificial Photosynthesis and Solar Biofuel Production

5 Shedding Light on the Production of Biohydrogen from Algae

5.1 Introduction

5.2 Hydrogen or Biohydrogen as Source of Energy

5.3 Hydrogen Production From Various Resources

5.4 Mechanism of Biological Hydrogen Production from Algae

5.5 Production of Hydrogen from Different Algal Species

5.6 Concluding Remarks

Acknowledgments

References

6 Photoelectrocatalysis Enables Greener Routes to Valuable Chemicals and Solar Fuels

6.1 Introduction

6.2 C−H Functionalization in Complex Organic Synthesis

6.3 Examples of Photoelectrochemical-Induced C−H Activation

6.4 C−C Functionalization

6.5 Electrochemically Mediated Photoredox Catalysis (e-PRC)

6.6 Interfacial Photoelectrochemistry (iPEC)

6.7 Reagent-Free Cross Dehydrogenative Coupling

6.8 Conclusion

References

Part III: Photocatalytic CO

2

Reduction to Fuels

7 Graphene-Based Catalysts for Solar Fuels

7.1 Introduction

7.2 Preparation of Graphene and Its Composites

7.3 Graphene-Based Catalyst Characterization Techniques

7.4 Graphene-Based Catalyst Performance

7.5 Conclusion and Future Opportunities

Acknowledgments

References

8 Advances in Design and Scale-Up of Solar Fuel Systems

8.1 Introduction

8.2 Strategies for Solar Photoreactor Design

8.3 Design Considerations for Scale-Up

8.4 Future Systems and Large Reactors

8.5 Conclusions

References

Part IV: Solar-Driven Water Splitting

9 Photocatalyst Perovskite Ferroelectric Nanostructures

9.1 Introduction

9.2 Ferroelectric Properties and Materials

9.3 Fundamental of Photocatalysis and Photoelectrocatalysis

9.4 Principle of Piezo/Ferroelectric Photo(electro)catalysis

9.5 Ferroelectric Nanostructures for Photo(electro)catalysis

9.6 Synthesis and Design of Nanostructured Ferroelectric Photo(electro)catalysts

9.7 Photo(electro)catalytic Activities of Ferroelectric Nanostructures

9.8 Conclusion and Perspective

References

10 Solar-Driven H

2

Production in PVE Systems

10.1 Introduction

10.2 Approaches for H

2

Production

via

Solar-Driven Water Splitting

10.3 Principle of Designing of PVE Systems for Solar-Driven Water Splitting

10.4 Development of PVE Systems for Solar-Driven Water Splitting

10.5 Conclusions and Future Perspective

References

11 Impactful Role of Earth-Abundant Cocatalysts in Photocatalytic Water Splitting

11.1 Introduction

11.2 Categories of Cocatalysts Utilized in Photocatalytic Water Splitting

11.3 Factors Determining the Cocatalyst Activity

11.4 Advanced Characterization Techniques for Cocatalytic Process

11.5 Conclusion

Acknowledgments

References

Index

List of Tables

Chapter 1

Table 1.1 Hubbard

U

values for XC+

U

calculations fit to relevant oxidation energies (unless otherwise noted). For example, the

U

value for SCAN+

U

calculations of Ce oxides was fit to reproduce the experimental enthalpy of the following reaction: 4CeO

2

(s) ⇌ 2Ce

2

O

3

(s) + O

2

(g). References are enclosed in brackets.

Table 1.2 Magnitudes of the different kinds of entropy contributions. Exp and RA means experiment and redox-active, respectively.

Chapter 3

Table 3.1 Selected studies on solar thermochemical water splitting hydrogen generation.

Table 3.2 Input data used for the economic and thermodynamic analyses.

Table 3.3 Results of the multiobjective optimization for three selected Pareto solutions.

Chapter 4

Table 4.1 Water splitting and thermal decomposition data for some metal/metal oxide pairs.

Table 4.2 Estimated areas as a result of curve fitting the TPR data of CO

3

O

4

.

Table 4.3 Estimated areas as a result of curve fitting of TPO data of reduced Co

4

.

Chapter 5

Table 5.1 Hydrogen production from certain algal species.

Chapter 7

Table 7.1 Preparation, characterization, and application of graphene-based catalysts for solar fuels production.

Chapter 8

Table 8.1 Summary of the reaction mechanism studies for photocatalytic CO

2

reduction [17].

Table 8.2 Standard potentials related to CO

2

reduction and water oxidation.

Chapter 10

Table 10.1 Summary of state-of-the-art photovoltaic-electrolyzer (PVE) systems for solar-driven water splitting. a)

Guide

Cover

Table of Contents

Title Page

Copyright

Begin Reading

Index

End User License Agreement

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Scrivener Publishing

100 Cummings Center, Suite 541J

Beverly, MA 01915-6106

Advances in Solar Cell Materials and Storage

Series Editor: Nurdan Demirci Sankir and Mehmet Sankir

Scope: Because the use of solar energy as a primary source of energy will exponentially increase for the foreseeable future, this series on Advances in Solar Cell Materials and Storage will focus on new and novel solar cell materials and their application for storage. The scope of the series deals with the solution-based manufacturing methods, nanomaterials, organic solar cells, flexible solar cells, batteries and supercapacitors for solar energy storage, and solar cells for space.

Publishers at Scrivener

Martin Scrivener ([email protected])Phillip Carmical ([email protected])

Solar Fuels

Edited by

Nurdan Demirci Sankir

Department of Materials Science and Engineering, TOBB University of Economics and Technology, Ankara, Turkey

and

Mehmet Sankir

Department of Materials Science and Engineering, TOBB University of Economics and Technology, Ankara, Turkey

This edition first published 2023 by John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, USA and Scrivener Publishing LLC, 100 Cummings Center, Suite 541J, Beverly, MA 01915, USA© 2023 Scrivener Publishing LLC

For more information about Scrivener publications please visit www.scrivenerpublishing.com.

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Library of Congress Cataloging-in-Publication Data

ISBN 978-1-119-75057-4

Cover image: Pixabay.Com

Cover design by Russell Richardson

Preface

Among all other energy sources, solar power is the one with the highest capacity and greatest potential. It is humanity’s great loss to not be able to use solar energy to produce all the energy we need. This is particularly true since the environmental and sociopolitical problems caused by the use of fossil fuels have negatively affected our future welfare. Therefore, with this as the motivating factor, basic science and engineering studies have been continuing at a rapid pace with the aim of eliminating existing problems to ensure a more efficient and widespread use of solar energy. The biggest disadvantage that solar energy has to face is that it is not accessible at all times of the day and year; in other words, the energy obtained from the sun must be stored.

The energy from photovoltaic systems can be stored in flow batteries or other battery systems, as well as making it storable by converting solar energy to chemical energy, which will make it more cost-effective and versatile compared to the current method. Synthetic chemical fuels obtained by using solar energy are called solar fuels. Hydrogen, methanol, methane, ammonia, carbon monoxide, and some other hydrocarbons and/or oxygenates can be produced from abundant feedstocks such as water, carbon dioxide, and nitrogen via different solar energy-based routes. These routes include solar thermolysis, artificial photosynthesis, and photocatalytic and photoelectrochemical conversion. Therefore, we organized our book to review these routes in informative chapters submitted by distinguished authors. We, as editors, wish to thank the authors for their valuable contributions. This volume covers cutting-edge technologies and materials for efficient solar fuel generation. Additionally, it highlights the research efforts in the literature and adds a valuable component to the area. In addition to the basics, this book also discusses advanced engineering details for both scientists and engineers in academia and industry.

There are four parts and eleven chapters in the book. Part I, Solar Thermochemical and Concentrated Solar Approaches, includes four chapters. Chapter 1 summarizes hydrogen generation via solar thermolysis. This chapter focuses on the theoretical methods, the state-of-the-art redox-active metal oxides, next-generation perovskite redox-active materials, and materials design directions. Chapter 2 covers recyclable solar transport fuels. In this chapter, all the important aspects of sustainability of solar metal fuels for future long-distance transportation through combustion/reduction cycles are discussed, including direct combustion of solar metal fuels and regeneration of metal fuels through the solar reduction of oxides. Chapter 3 discusses the design and optimization of a standalone plant for hydrogen generation powered by solar energy. Fundamental advances in the copper-chlorine (Cu-Cl) high-performance thermochemical cycle, thermodynamic and economic analyses, and optimization of the system for two objective functions, including the levelized cost of producing hydrogen and solar-to-hydrogen efficiency, are explained in this chapter. Chapter 4 presents a comparative study on solar thermochemical hydrogen production versus solar heat storage using cobalt oxide (Co3O4).

Among the topics covered are the thermodynamics of direct decomposition of water, a critical analysis of two-step thermochemical water splitting cycles through the redox properties of Co3O4, and cyclic thermal energy storage using Co3O4.

Part II, Artificial Photosynthesis and Solar Biofuel Production, includes two chapters. Chapter 5 covers the production of biohydrogen from algae. Overall, this chapter intends to summarize the developments in hydrogen production from certain algal species, which is helpful for commercial practice in the near future. Chapter 6 summarizes state-of-the-art applications of photoelectrocatalysis (PEC) in the synthesis of valuable chemicals and solar fuels. This chapter focuses on C-H functionalization in complex organic synthesis, examples of photoelectrochemical-induced C-H activation, C-C functionalization, electrochemically mediated photoredox catalysis, interfacial photoelectrochemistry, and reagent-free cross dehydrogenative coupling.

Part III, Photocatalytic CO2 Reduction to Fuels, includes two chapters. Chapter 7 focuses on graphene-based catalysts for solar fuels. The preparation of graphene and its composites and the performance of graphenebased catalysts are covered in this chapter. Chapter 8 covers the advances in the design and scale-up of solar fuel systems. Also discussed are strategies for solar photoreactor design, including photocatalytic and electrochemical systems for carbon dioxide reduction, design considerations for scale-up, and future systems and large reactors.

Part IV, Solar-Driven Water Splitting, includes three chapters. Chapter 9 summarizes the advanced materials and systems for solar hydrogen generation. Perovskite ferroelectric nanostructures for photocatalysis and photoelectrocatalysis are also introduced in this chapter. Chapter 10 focuses on photovoltaic-electrolyzer (PVE) systems, consisting of photovoltaic (PV) cells connected by wires with electrolyzers equipped with an anode and a cathode in an electrolyte solution as one of the most promising approaches for solar-driven water splitting. Finally, Chapter 11 offers meaningful guidance to design cost-effective and highly efficient cocatalysts for photocatalytic water splitting. In this context, the basic working principle of cocatalysts and a summary of extensively studied earth-abundant cocatalysts are provided.

In conclusion, we would like to emphasize that this third volume of the Advances in Solar Cell Materials and Storage series provides an overall view of the new and highly promising photoactive materials and system designs for solar fuel generation. Therefore, readers from diverse fields, including chemistry, physics, materials science, engineering, and mechanical and chemical engineering, can definitely take advantage of the information presented in this book to better understand the impacts of solar fuels.

Series EditorsNurdan Demirci Sankir PhD and Mehmet Sankir PhDDepartment of Materials Science and Nanotechnology Engineering,TOBB University of Economics and TechnologyFebruary 20, 2023

Part ISOLAR THERMOCHEMICAL AND CONCENTRATED SOLAR APPROACHES