Electrochemical Energy Conversion via Small Molecule Catalysis E-Book
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- Herausgeber: Wiley-VCH
- Kategorie: Wissenschaft und neue Technologien
- Sprache: Englisch
A practical and authoritative examination of the electrochemical energy conversion
In Electrochemical Energy Conversion via Small Molecule Catalysis, a team of distinguished researchers delivers an up-to-date discussion of state-of-the-art techniques of electrochemical energy conversion conducted with small molecule catalysis. The authors cover the foundational concepts and theories relevant to the technique, electrochemical oxygen evolution reaction, electrochemical oxygen reduction reaction, and electrochemical carbon-nitrogen coupling reaction.
Readers will find detailed explorations of the characterization techniques and the computational approaches for catalysis evaluation and prediction. You’ll also discover examinations of the mechanisms and development status of many widely employed energy conversion reactions.
The book includes:
- A thorough introduction to constant-potential modeling in CO2 reduction
- Comprehensive explorations of advanced in situ characterization techniques for direct observation of gas-involved electrochemical reactions
- Practical discussions of dynamic structural evolution identification via x-ray absorption fine structure
- Complete treatments of catalysts for electrocatalytic oxygen reduction reaction
Perfect for electrochemists, catalytic chemists, and materials scientists, Electrochemical Energy Conversion via Small Molecule Catalysis will also benefit chemical engineers, environmental chemists, and polymer chemists.
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Veröffentlichungsjahr: 2025
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Table of Contents
Cover
Table of Contents
Title Page
Copyright
Preface
Acknowledgments
Chapter 1: Introduction
1.1 Origins and Evolution of Small-molecule Catalysis for Electrochemical Energy Conversion
1.2 Current State of Small-molecule Catalysis in Electrochemical Energy Conversion
1.3 Challenges in Small-molecule Catalysis for Electrochemical Energy Conversion
1.4 Opportunities and Future Outlook
Acknowledgment
References
Chapter 2: Electrochemical Energy Conversion Techniques
2.1 Introduction: The Future Is Electrifying
2.2 Fuel Cells and Electrolyzers
2.3 Batteries and Supercapacitors
2.4 Summary
References
Chapter 3: Constant-potential Modeling in Electrochemical CO
2
Reduction
3.1 Introduction
3.2 Principle of Constant-potential Modeling
3.3 Constant-potential Modeling of Electrochemical CO
2
RR
3.4 Conclusion and Outlook
Acknowledgment
References
Chapter 4: Advanced In Situ Characterization Techniques for Direct Observation of Gas-involved Electrochemical Reactions
4.1 Introduction
4.2 In Situ Infrared Technique
4.3 Electrochemical Quartz Crystal Microbalance
4.4 X-ray Powder Diffraction
4.5 In Situ Differential Electrochemical Mass Spectrometer
4.6 In Situ Raman Spectroscopy
4.7 In Situ Fluorescence Spectrum
4.8 X-Ray Photoelectron Spectrometer
4.9 Ultraviolet Photoelectron Spectrometer
References
Chapter 5: Dynamic Structural Evolution Identification via X-ray Absorption Fine Structure
5.1 Introduction
5.2 Fundamentals of XAFS
5.3 XAFS Data Analysis and Interpretation
5.4 In Situ and Operando XAFS Techniques
5.5 Advanced XAFS Methods
5.6 Dynamic Structural Evolution in Catalysts
5.7 Application of XAFS in Electrochemical Energy Conversion
5.8 Conclusion and Outlook
Acknowledgment
References
Chapter 6: Electrochemical Hydrogen Evolution Reaction
6.1 Introduction
6.2 Performance Evaluation Criteria and Methods
6.3 Advanced Electrocatalysts for HER
6.4 Summary and Perspective
Acknowledgment
References
Chapter 7: Electrochemical Oxygen Evolution Reaction
7.1 Introduction
7.2 The State-of-the-art Characterization Techniques
7.3 OER Mechanisms
7.4 The Mechanism and Development Status of Some Typical Energy Conversion Reactions
7.5 Catalysis Evaluation and Prediction
7.6 Conclusion
Acknowledgment
References
Chapter 8: Electrochemical Hydrogen/Liquid Fuel Oxidation Reaction
8.1 Introduction
8.2 Hydrogen Fuel Oxidation Reaction
8.3 Liquid Fuel Oxidation Reaction
8.4 Conclusion and Outlook
Acknowledgment
References
Chapter 9: Catalysts for Electrocatalytic Oxygen Reduction Reaction
9.1 Introduction
9.2 The ORR Mechanism
9.3 ORR Catalyst Characterization Techniques
9.4 The Category of ORR Catalyst
9.5 Pd-Based Metal Catalysts
9.6 Non-platinum Group Metal Catalysts
9.7 Metal-free Catalysts
9.8 Single-atom Catalysts
9.9 Conclusion and Outlook
Acknowledgment
References
Chapter 10: Electrochemical Conversion of Biomass Derivatives
10.1 Introduction
10.2 Fundamentals of Electrooxidation of Biomass Derivatives
10.3 Cathodic Reaction in Biomass Electrooxidation System
10.4 Challenges and Future Perspectives
References
Chapter 11: Electrochemical CO
2
Reduction and Conversion
11.1 Introduction
11.2 Fundamentals of ECR
11.3 Catalysts for ECR
11.4 Mechanisms and Pathways of ECR
11.5 Challenges and Opportunities
11.6 Case Studies and Applications
11.7 Future Perspectives
11.8 Conclusion
References
Chapter 12: Electrochemical Nitrogen Fixation and Conversion
12.1 Introduction
12.2 Electrocatalytic N
2
Reduction Reaction
12.3 Electrocatalytic N
2
Oxidation Reaction
12.4 Conclusion and Outlook
Acknowledgment
References
Chapter 13: Recent Progress in Electrochemical C─N Coupling Reactions
13.1 Introduction
13.2 Milestones in Electrocatalytic C─N Coupling
13.3 Fundamentals of Electrocatalytic C─N Coupling
13.4 Electrocatalytic C─N Coupling for Urea Synthesis
13.5 Electrocatalytic C─N Coupling for Amide Synthesis
13.6 Mechanistic Understanding of Electrocatalytic C─N Coupling
13.7 Summary
Acknowledgment
References
Chapter 14: Electrochemical Fluorination
14.1 Introduction
14.2 Electrochemically Driven Fluoroalkylation
14.3 Electrochemical Selective Fluorination of Alkenes
14.4 Ionic Liquids-facilitated Electrofluorination
14.5 Electrochemical Fluorination Using Alkali Metal Fluorides
14.6 Conclusion and Outlook
Acknowledgment
References
Chapter 15: Electrochemical Polymerization: Synthesis of Functional Films for Energy Devices
15.1 Introduction
15.2 General Principles of Electrochemical Polymerization
15.3 Advanced Electrochemical Polymerization Technology
15.4 Electrochemical Polymerization in the Fabrication of Functional Films
15.5 Concluding Remarks
Acknowledgment
References
Chapter 16: Summary and Perspective
16.1 Summary
16.2 Perspective
Index
End User License Agreement
List of Illustrations
Chapter 2
Figure 2.1 Schematic of a sustainable energy landscape based on electrocatalysis.
Figure 2.2 (a) Representative anodic and cathodic reactions in the electrochemical conversi...
Figure 2.3 Comparison of electrocatalytic setups from laboratory to industry: (a) three-ele...
Figure 2.4 An overview of modern fuel cell technologies.
Figure 2.5 Ragone plot illustrating the performances of specific power versus specific ener...
Chapter 3
Figure 3.1 Process for saddle search and local optimization with continuous potential. The ...
Figure 3.2 Reaction-free energy profiles with error bars for (a) CO
2
adsorption and (b, c) ...
Figure 3.3 (a) The traditional Butler–Volmer reaction kinetics. Starting from the product (...
Figure 3.4 (a) The binding energies of CO and H on different substrates, where “” denotes t...
Figure 3.5 Free energy gradient (purple) and free energy (green) as functions of Cu distanc...
Figure 3.6 Free energy profile (top) and key structures (bottom) of IS-ET at Au–water (a) a...
Figure 3.7 Influences of cations on the CO dimerization step. (a) Snapshots of and models...
Figure 3.8 Without K
+
ions in the electrolyte, the grand free energy profile of coupling o...
Figure 3.9 Study of Cu surfaces modified with 8 and 9. Last snapshot of the interface betwe...
Figure 3.10 coupling (CO* + COH* → OCCOH* + *) reaction-free energies and activation barrie...
Chapter 4
Figure 4.1 Infrared spectroscopic instrument.
Figure 4.2 In situ infrared spectroscopy. (a) He flow after CO
2
saturated adsorption and in...
Figure 4.3 (a) Cell configuration of in situ FT-IR setup. (b) Charge/discharge curves of PT...
Figure 4.4 Schematic diagram of EQCM system.
Figure 4.5 EQCM is used to monitor the ion transport mode of supercapacitors. (a) Potential...
Figure 4.6 EQCM is used to monitor the ion solvation number of supercapacitors. (a) vs ele...
Figure 4.7 Combination of EQCM and other detection methods. (a) Structure of anions, and si...
Figure 4.8 (a) Schematic diagram of in situ cell. (b) Schematic diagram of in situ XRD patt...
Figure 4.9 (a, b) In situ XRD contour plots of a pristine G-mSnO
2
/SnSe
2
electrode in the fi...
Figure 4.10 Transmission-mode operando XRD tracking of the V
2
O
5
cathode with (a) 2M ZnCl
2
el...
Figure 4.11 (a, b) In situ XRD patterns of FMR-0 and FMR-0.05 in the 2θ range of 10–50° with t...
Figure 4.12 (a, b) In situ XRD patterns at −0.4 V for various time points.
Figure 4.13 Apparatus used to detect electrochemical reaction intermediates, employing a rot...
Figure 4.14 General features of a DEMS apparatus used for analyzing ARBs: inlet/outlet gas l...
Figure 4.15 Comparison of the electrochemical performance of LFP||Gr full cells with CLR (LF...
Figure 4.16 In situ DEMS signals of LiCoO
2
/Li cells using (a) LiDFOB-PC and (b) LiDFTCB-PC a...
Figure 4.17 DEMS signals of the (a) products and (b) products of -labeled (Ni, Fe)O(OH)@Ni...
Figure 4.18 (a) In situ Raman spectrogram of CuS; potential-dependent in situ Raman spectra ...
Figure 4.19 In situ Raman spectroscopy measurements of (a) the pristine NiFe-LDH and (b) d-N...
Figure 4.20 In situ Raman spectra of as-prepared catalysts during the OER process by an appl...
Figure 4.21 In situ Raman spectroscopy for investigating the OER mechanism of P-CeSAs@CoO. (...
Figure 4.22 Electrochemical CO
2
RR over different interfacial structures. (a) LSV of Au/C-P-0...
Figure 4.23 XPS principle.
Figure 4.24 Diagram of (a) an X-ray photoelectron spectrometer, (b) AXIS SUPRA+, and (c) AXI...
Figure 4.25 (a) Schematic diagram of SI-XPS test. (b) Photo of SI-XPS test; XPS spectra of g...
Figure 4.26 X-ray photoelectron (XPS) spectra recorded during deposition of 31 nm Li metal o...
Figure 4.27 Typical UPS spectrum. The secondary electron cutoff edge is on the left and the ...
Figure 4.28 Diagram of (a) an ultraviolet photoelectron spectroscopy and (b) Thermo Fisher (...
Figure 4.29 In situ UV-Vis absorption profiles.
Chapter 5
Figure 5.1 Illustration of the XAFS: On the left is an example XAFS spectrum, highlighting ...
Figure 5.2 Schematic view of the XAFCA beamline. The collimating mirror aligns the beam ver...
Figure 5.3 (a) A typical XAS spectrum consisting of XANES and EXAFS regions, with an inset ...
Figure 5.4 Schematic representation of the evolution of the structure and chemical state of...
Figure 5.5 Schematic sketch of the in situ cell. The battery cell with a diameter of 16 mm ...
Figure 5.6 Schematic of a laboratory-made PEFC cell designed for operando XAFS measurements.
Figure 5.7 (a) XRD patterns of Ti
3
AlC
2
and Ti
3
C
2
-Cu/Co hybrids. (b–d, g) High-resolution Ti...
Figure 5.8 Schematic diagrams of (a) quick-XAFS (QXAFS), (b) energy-dispersive XAFS (DXAFS)...
Figure 5.9 (a) Schematic of the experimental setup. (b) Fourier-transformed (FT) -weighted -...
Chapter 6
Illustration 6.1 The primary application areas of hydrogen energy.
Figure 6.1 (a) The mechanism of the HER process, wherein * represents the active sites of t...
Figure 6.2 Noble metal-based hydrogen evolution electrocatalysts in acidic media. (a) X-ray...
Figure 6.3 Transition-metal-based hydrogen evolution electrocatalysts in alkaline media. (a)...
Figure 6.4 Problem and potential solutions in SWE. (a) Problem with OER in SWE.
Figure 6.5 Summary and perspectives for HER.
Chapter 7
Figure 7.1 (a) A schematic showing the crucial role of the electrolysis of water for “green hydrogen”...
Figure 7.2 (a) In situ Raman spectra of (, 0.05, 0.1, and 0.15) during the OER process (1....
Figure 7.3 A survey of the catalytic reaction pathway, including (a) AEM, (b) LOM, and (c) OPM.
Figure 7.4 Electron transfer pathways of COM routes.
Figure 7.5 (a) Photocatalytic water-splitting process.
Chapter 8
Figure 8.1 (a) HOR routes in alkaline media: Tafel–Volmer, Heyrovsky–Volmer mechanism with ...
Figure 8.2 (a) HOR polarization curves of Ni, (, 0.5, and 1), and 20 % Pt/C. (b) Tafel plots of the ki...
Figure 8.3 A dual-pathway mechanism for electrocatalytic MOR, where * represents the adsorp...
Figure 8.4 (a) TEM and schematic illustration of PtCo nanocrystals at different reaction ti...
Figure 8.5 (a and b) Free energy diagrams of Pt and Co
3
Pt for CO adsorption and Ru and Co
3
R...
Chapter 9
Figure 9.1 Schematic illustration for 4e
−
transfer ORR pathways. The blue and red arrows re...
Figure 9.2 (a) A diagrammatic representation of RDE configuration. (b) Single-fuel-cell con...
Figure 9.3 (a) Relationships between experimentally measured specific activity for the ORR ...
Figure 9.4 (a) Atomically resolved HAADF-STEM image of PIFCC-HEI nanoparticle. (b) Polariza...
Figure 9.5 (a) Schematic illustration of ultrafine nanocatalysts encaged in graphene pocket...
Figure 9.6 (a) HAADF-STEM image of PdMo bimetallene. (b) A comparison of the mass and speci...
Figure 9.7 (a) Potentials at as a function of orbital in perovskite-based oxides. Data sy...
Figure 9.8 (a) N 1s XPS spectra of model catalysts. (b) ORR results for model catalysts cor...
Figure 9.9 The proposed reaction pathways for complete oxygen reduction reaction on the P-N...
Figure 9.10 (a) A comparison between a Fourier-transformed experimental extended X-ray fine ...
Figure 9.11 (a) The schematic illustration for the synthesis of Co SACs/N-C. (b) RDE polariz...
Figure 9.12 (a) ORR polarization curves measured on RDE in O
2
-saturated 0.1 M HClO
4
electrol...
Chapter 10
Figure 10.1 Electrochemical reaction pathways of alcohol compounds.
Figure 10.2 (a) Electrooxidation performance and reaction mechanism of cyclohexanol.
Figure 10.3 (a) Low-potential oxidation of aldehydes coupled with cathodic reactions for hyd...
Figure 10.4 Schematic diagram of glucose electrooxidation: Generation of glucose acid, gluca...
Figure 10.5 Conceptual design. (a) Traditional approach to PET recycling. (b) Electrocatalyt...
Figure 10.6 Schematic representation of the electrochemical coproduction system. (a) Four pa...
Figure 10.7 Two-electrode NITRR//GOR system and techno-economic evaluation. (a) Diagram of t...
Chapter 11
Figure 11.1 CO
2
recycling circular economy.
Figure 11.2 Brief history and current state of electrochemical CO
2
reduction research.
Figure 11.3 (a) Isometric view of a flow cell showing individual components.
Figure 11.4 A product classification of metal catalysts for the electroreduction of CO
2
. (a)...
Figure 11.5 Rational design of carbon-based metal-free catalysts for electrochemical carbon ...
Figure 11.6 Schematic mechanism of different metal electrocatalysts for CO
2
reduction reacti...
Figure 11.7 Electrochemical CO
2
reduction coupled with alternative oxidation reactions: elec...
Figure 11.8 Process modeling, techno-economic assessment, and life cycle assessment of the e...
Figure 11.9 (a) Schematic illustration (cross view) of CO
2
electrolyzer: 1, membrane; 2, ele...
Chapter 12
Figure 12.1 Pourbaix diagram of the N
2
–H
2
O system.
Figure 12.2 NRR pathways.
Figure 12.3 NH
3
EE of reported NRR catalysts.
Figure 12.4 (a) The synthesis route, NH
3
yield, and FE of Ru SAs/N-C.
Figure 12.5 (a) DFT calculation of HER (insets) and NRR energy files for different surfaces....
Figure 12.6 (a) HAADF-TEM and element mapping images of Au/Ni nanoparticles. (b) Illustratio...
Figure 12.7 (a) Preparation route for ISAS-Fe/NC catalyst. (b) Gibbs free energy diagram ove...
Figure 12.8 (a) The structure of PCN with nitrogen vacancy (a-i) and the adsorbed structure ...
Figure 12.9 (a) SEM image of B
4
C nanosheets and (b) Free energy profile of NRR over B
4
C.
Figure 12.10 The different pathways for HNO
3
synthesis.
Figure 12.11 Some important thermochemical data related to different reaction routes.
Figure 12.12 The possible NOR pathways based on previously reported NOR.
Figure 12.13 (a) The proposed NOR pathways, the TEM image, and element mapping of the Ru/TiO
2
...
Figure 12.14 (a) The predicted cost for the HNO
3
production from the NOR process and a compar...
Chapter 13
Figure 13.1 Schematic illustration of (a) H cell (WE: working electrode; CE: counter electrod...
Figure 13.2 (a) High-resolution TEM image of Pd
1
Cu
1
/TiO-400. The scale bar is 2 nm. (b) Ammo...
Figure 13.3 (a) Schematic illustration of the spin-state regulation of pristine Ni
3
(BO
3
)
2
af...
Figure 13.4 (a) Product distribution and (b) urea yield rate over Zn NBs at different applie...
Figure 13.5 (a) TEM images of the PdCu/CBC.
Figure 13.6 (a) Schematic illustration of coupling process on single and dual sites. (b) FE
Urea
...
Figure 13.7 (a) A schematic depicting cyanate and urea formation from the electro-oxidative ...
Figure 13.8 (a) Product distribution and total current density during 16 hours electrolysis ...
Figure 13.9 (a) The CuO catalyst particles were drop-cast onto a gas-diffusion electrode, wh...
Figure 13.10 (a) Free energy profiles of reduction to CO on pure Pd (111) and Te-doped Pd (1...
Figure 13.11 (a) In situ ART-FTIR spectra of under CO
2
, NaNO
2
, and both. Online DEMS spectra...
Figure 13.12 (a, b) FE
CO
FE
NH4+
and for the electrochemical reduction of CO
2
and the mixture ...
Chapter 14
Figure 14.1 Electrochemical trifluoromethylation. (a) Radical functionalization of heteroar...
Figure 14.2 Electrochemical difluoromethylation. (a) Radical difluoromethylation of alkynes ...
Figure 14.3 (a) An EC
N
EC
N
(electrochemical–chemical–electrochemical–chemical) mechanism.
Figure 14.4 (a) Significance and application of vicinal difluorides and methods to prepare v...
Figure 14.5 (a) Comparison of DMPU/HF with pyridine/HF and Et
3
N/HF.
Figure 14.6 (a) Selective indirect anodic fluorination of organic compounds using a task-spe...
Figure 14.7 (a) Schematic representation of the anodic fluorination method, which relies on...
Chapter 15
Figure 15.1 Applications of electrochemical polymerization method in fabricating functional ...
Figure 15.2 Illustrations of the advanced electrochemical polymerization technology. (a) Ele...
List of Tables
Chapter 6
Table 6.1 Comparison of HER performance for reported noble metal-based catalysts in acidic...
Table 6.2 Comparison of HER performance for reported transition-metal-based catalysts in 1...
Table 6.3 Comparison of neutral HER performance for the reported electrocatalysts.
Chapter 8
Table 8.1 Kinetic expressions and Tafel slope for HOR.
Chapter 12
Table 12.1 The NRR activity of reported non-noble metal–based catalysts.
Guide
Cover
Table of Contents
Title Page
Copyright
Preface
Acknowledgments
Begin Reading
Index
End User License Agreement
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Electrochemical Energy Conversion via Small Molecule Catalysis
Edited By
Zhicheng Zhang
Yuanmiao Sun
Authors
Professor Zhicheng Zhang
Department of Chemistry
School of Science
Tianjin University
No. 92 Weijin Road
Nankai District
People’s Republic of China
Professor Yuanmiao Sun
Shenzhen Institute of Advanced Technology
1068 Xueyuan Avenue
Shenzhen University Town
Shenzhen, 518055
People’s Republic of China
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Preface
With the ongoing increase in global energy demand and the diminishing availability of fossil fuels, there is a growing need for sustainable, efficient, and cost-effective energy conversion and storage systems. This challenge has become one of the most pressing issues in modern society. Electrocatalysis has emerged as a key technology in enabling the efficient transformation of energy, particularly in systems such as fuel cells, metal-air batteries, CO2 conversion, and water splitting. Electrocatalysts enhance the rate of electrochemical reactions, playing a pivotal role in improving the efficiency of energy conversion processes.
This book provides a comprehensive examination of electrocatalytic materials and their applications in energy conversion, with a focus on electrochemical reactions such as the hydrogen evolution reaction, oxygen evolution reaction, CO2 reduction, nitrogen fixation, and biomass conversion. It is divided into several sections, each exploring critical aspects of the field. The first section covers fundamental concepts and theories of electrocatalysis, detailing the mechanisms and pathways involved in various electrochemical reactions. The second section delves into the design principles, structural characteristics, and structure–activity relationships of state-of-the-art electrocatalysts, offering insights into how geometric and electronic factors influence catalytic performance. The final section addresses the challenges and opportunities for advancing electrocatalysis, proposing future directions for research and development.
Through this book, we aim to provide readers with a deeper understanding of the role of electrocatalysts in energy conversion, while stimulating further interest and investment in this rapidly evolving field. We hope that this book will inspire ongoing research and innovation, ultimately driving the development of practical, scalable solutions for sustainable energy production and utilization.
Zhicheng Zhang, Tianjin University
Yuanmiao Sun, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences
Acknowledgments
This book was supported by Innovation Funding Project of Science and Technology, China National Petroleum Corporation (2022DQ02-0408). We would like to thank editors Elisha Benjamin and Alice Qian from Wiley for their great efforts in editing this book.
