| Preface |
|
xv | |
| Acknowledgments |
|
xix | |
|
|
|
1 | (6) |
|
|
|
3 | (4) |
|
|
|
5 | (2) |
|
Part II Natural Carbon Cycle |
|
|
7 | (14) |
|
2 Natural Carbon Cycle and Anthropogenic Carbon Cycle |
|
|
9 | (12) |
|
2.1 Definition and General Process |
|
|
9 | (1) |
|
2.2 From Inorganic Carbon to Organic Carbon |
|
|
10 | (1) |
|
2.3 From Organic Carbon to Inorganic Carbon |
|
|
11 | (1) |
|
2.4 Anthropogenic Carbon Cycle |
|
|
11 | (7) |
|
2.4.1 Anthropogenic Carbon Emissions |
|
|
12 | (1) |
|
2.4.2 Capture and Recycle of CO2 from the Atmosphere |
|
|
13 | (1) |
|
2.4.3 Fixation and Conversion of CO2 |
|
|
14 | (1) |
|
2.4.3.1 Photochemical Reduction |
|
|
14 | (1) |
|
2.4.3.2 Electrochemical Reduction |
|
|
15 | (1) |
|
2.4.3.3 Chemical/Thermo Reforming |
|
|
16 | (1) |
|
2.4.3.4 Physical Fixation |
|
|
16 | (1) |
|
2.4.3.5 Anthropogenic Carbon Conversion and Emissions Via Electrochemistry |
|
|
17 | (1) |
|
|
|
18 | (3) |
|
Part III Electrochemical Catalysis Process |
|
|
21 | (22) |
|
3 Electrochemical Catalysis Processes |
|
|
23 | (20) |
|
|
|
23 | (6) |
|
|
|
23 | (1) |
|
|
|
23 | (1) |
|
|
|
24 | (2) |
|
|
|
26 | (1) |
|
3.1.2 General Parameters to Evaluate Water Splitting |
|
|
27 | (1) |
|
|
|
27 | (1) |
|
|
|
27 | (1) |
|
3.1.2.3 Onset/Overpotential |
|
|
28 | (1) |
|
|
|
28 | (1) |
|
|
|
28 | (1) |
|
3.2 Electrochemistry CO2 Reduction Reaction (ECDRR) |
|
|
29 | (7) |
|
3.2.1 Possible Reaction Pathways of ECDRR |
|
|
29 | (1) |
|
3.2.1.1 Formation of HOXr or HCOOH |
|
|
29 | (1) |
|
|
|
30 | (1) |
|
3.2.1.3 Formation of C1 Products |
|
|
30 | (1) |
|
3.2.1.4 Formation of C2 Products |
|
|
31 | (2) |
|
3.2.1.5 Formation of CH3COOH and CH3COO |
|
|
33 | (1) |
|
3.2.1.6 Formation of n-Propanol (C3 Product) |
|
|
33 | (1) |
|
3.2.2 General Parameters to Evaluate ECDRR |
|
|
34 | (1) |
|
|
|
34 | (1) |
|
3.2.2.2 Faradaic Efficiency |
|
|
34 | (1) |
|
3.2.2.3 Partial Current Density |
|
|
34 | (1) |
|
3.2.2.4 Environmental Impact and Cost |
|
|
35 | (1) |
|
|
|
35 | (1) |
|
3.2.2.6 Electrochemical Cells |
|
|
36 | (1) |
|
3.3 Small Organic Molecules Oxidation |
|
|
36 | (4) |
|
3.3.1 The Mechanism of Electrochemistry HCOOH Oxidation |
|
|
36 | (1) |
|
3.3.2 The Mechanism of Electro-oxidation of Alcohol |
|
|
37 | (3) |
|
|
|
40 | (3) |
|
Part IV Water Splitting and Devices |
|
|
43 | (58) |
|
4 Water Splitting Basic Parameter/Others |
|
|
45 | (8) |
|
4.1 Composition and Exact Reactions in Different pH Solution |
|
|
45 | (2) |
|
4.2 Evaluation of the Catalytic Activity |
|
|
47 | (3) |
|
|
|
47 | (1) |
|
|
|
48 | (1) |
|
|
|
49 | (1) |
|
4.2.4 Faradaic Efficiency |
|
|
49 | (1) |
|
|
|
50 | (1) |
|
|
|
50 | (3) |
|
|
|
53 | (38) |
|
5.1 Regular H2O Oxidation |
|
|
53 | (23) |
|
5.1.1 Noble Metal Catalysts |
|
|
53 | (11) |
|
5.1.2 Other Transition Metals |
|
|
64 | (8) |
|
|
|
72 | (4) |
|
5.2 Photo-Assisted H2O Oxidation |
|
|
76 | (12) |
|
5.2.1 Metal Compound-Based Catalysts |
|
|
76 | (4) |
|
5.2.2 Metal-Metal Heterostructure Catalysts |
|
|
80 | (6) |
|
5.2.3 Metal-Nonmetal Heterostructure Catalysts |
|
|
86 | (2) |
|
|
|
88 | (3) |
|
6 H20 Reduction and Water Splitting Electrocatalytic Cell |
|
|
91 | (10) |
|
6.1 Noble-Metal-Based HER Catalysts |
|
|
91 | (2) |
|
6.2 Non-Noble Metal Catalysts |
|
|
93 | (3) |
|
6.3 Water Splitting Electrocatalytic Cell |
|
|
96 | (3) |
|
|
|
99 | (2) |
|
Part V H2 Oxidation/O2 Reduction and Device |
|
|
101 | (82) |
|
|
|
103 | (8) |
|
7.1 Electrocatalytic Reaction Parameters |
|
|
104 | (7) |
|
7.1.1 Electrochemically Active Surface Area (ECSA) |
|
|
104 | (1) |
|
|
|
104 | (1) |
|
7.1.2 Determination Based on the Surface Redox Reaction |
|
|
104 | (1) |
|
7.1.3 Determination by Electric Double-Layer Capacitance Method |
|
|
105 | (1) |
|
7.1.4 Kinetic and Exchange Current Density (jk and j0) |
|
|
105 | (1) |
|
|
|
105 | (1) |
|
|
|
106 | (1) |
|
|
|
106 | (2) |
|
|
|
108 | (1) |
|
7.1.7 Halfwave Potentials JOS References |
|
|
108 | (3) |
|
8 Hydrogen Oxidation Reaction (HOR) |
|
|
111 | (22) |
|
|
|
111 | (1) |
|
8.1.1 Hydrogen Bonding Energy (HBE) |
|
|
111 | (1) |
|
8.1.2 Underpotential Deposition (UPD) of Hydrogen |
|
|
112 | (1) |
|
|
|
112 | (18) |
|
|
|
112 | (8) |
|
|
|
120 | (1) |
|
|
|
121 | (1) |
|
|
|
121 | (1) |
|
|
|
121 | (1) |
|
8.2.6 Non-noble Metal Materials |
|
|
122 | (8) |
|
|
|
130 | (3) |
|
9 Oxygen Reduction Reaction (ORR) |
|
|
133 | (34) |
|
|
|
133 | (1) |
|
9.1.1 Battery System and Damaged Electrodes |
|
|
133 | (1) |
|
9.1.2 Intermediate Species |
|
|
134 | (1) |
|
|
|
134 | (20) |
|
9.2.1 Noble Metal Materials |
|
|
134 | (4) |
|
9.2.1.1 Platinum/Carbon Catalyst |
|
|
138 | (7) |
|
|
|
145 | (1) |
|
9.2.2 Transition Metal Catalysts |
|
|
145 | (4) |
|
9.2.3 Metal-Free Catalysts |
|
|
149 | (5) |
|
9.3 Hydrogen Peroxide Synthesis |
|
|
154 | (7) |
|
|
|
154 | (1) |
|
|
|
154 | (2) |
|
|
|
156 | (1) |
|
|
|
157 | (1) |
|
9.3.1.4 Electrodes and Reaction Cells |
|
|
158 | (3) |
|
|
|
161 | (6) |
|
10 Fuel Cell and Metal-Air Battery |
|
|
167 | (16) |
|
|
|
167 | (3) |
|
|
|
170 | (11) |
|
10.2.1 Metal-Air Battery Structure |
|
|
171 | (10) |
|
|
|
181 | (2) |
|
Part VI Small Organic Molecules Oxidation and Device |
|
|
183 | (88) |
|
|
|
185 | (14) |
|
11.1 Primary Measurement Methods and Parameters |
|
|
186 | (11) |
|
11.1.1 Primary Measurement Methods |
|
|
186 | (7) |
|
|
|
193 | (4) |
|
|
|
197 | (2) |
|
|
|
199 | (36) |
|
|
|
199 | (4) |
|
12.1.1 Reaction Mechanism |
|
|
199 | (1) |
|
12.1.1.1 Solid-Liquid-Gas Reaction System |
|
|
199 | (1) |
|
|
|
199 | (2) |
|
12.1.3 Alkaline or Neutral Media |
|
|
201 | (2) |
|
|
|
203 | (16) |
|
12.2.1 Reaction Thermodynamics and Mechanism |
|
|
203 | (1) |
|
|
|
204 | (1) |
|
12.2.2.1 Pd-Based Catalysts |
|
|
204 | (4) |
|
12.2.2.2 Pt-Based Catalysts |
|
|
208 | (1) |
|
12.2.2.3 Platinum-Based Nanowires |
|
|
208 | (2) |
|
12.2.2.4 Platinum-Based Nanotubes |
|
|
210 | (2) |
|
12.2.2.5 Platinum-Based Nanoflowers |
|
|
212 | (2) |
|
12.2.2.6 Platinum-Based Nanorods |
|
|
214 | (1) |
|
12.2.2.7 Platinum-Based Nanocubes |
|
|
215 | (2) |
|
|
|
217 | (1) |
|
|
|
218 | (1) |
|
12.3 Formic Acid Oxidation |
|
|
219 | (7) |
|
12.3.1 Reaction Mechanism |
|
|
219 | (1) |
|
|
|
220 | (1) |
|
12.3.2.1 Pd-Based Catalysts |
|
|
220 | (3) |
|
12.3.2.2 Pt-Based Catalysts |
|
|
223 | (3) |
|
|
|
226 | (9) |
|
13 C2+ Molecule Oxidation |
|
|
235 | (22) |
|
|
|
235 | (15) |
|
13.1.1 Reaction Mechanism |
|
|
235 | (1) |
|
|
|
235 | (1) |
|
13.1.2.1 Pd-Based Catalysts |
|
|
235 | (4) |
|
13.1.2.2 Pt-Based Catalysts |
|
|
239 | (4) |
|
|
|
243 | (7) |
|
|
|
250 | (1) |
|
13.3 Ethylene Glycol Oxidation |
|
|
251 | (1) |
|
|
|
251 | (3) |
|
|
|
254 | (3) |
|
|
|
257 | (14) |
|
|
|
257 | (1) |
|
14.2 Types of Direct Liquid Fuel Cells |
|
|
258 | (9) |
|
14.2.1 Acid and Alkaline Fuel Cells |
|
|
258 | (2) |
|
14.2.2 Direct Methanol Fuel Cells (DMFCs) |
|
|
260 | (1) |
|
14.2.3 Direct Ethanol Fuel Cells (DEFCs) |
|
|
261 | (1) |
|
14.2.4 Direct Ethylene Glycol Fuel Cells (DEGFCs) |
|
|
261 | (1) |
|
14.2.5 Direct Glycerol Fuel Cells (DGFCs) |
|
|
262 | (1) |
|
14.2.6 Direct Formic Acid Fuel Cells (DFAFCs) |
|
|
262 | (1) |
|
14.2.7 Direct Dimethyl Ether Fuel Cells (DDEFCs) |
|
|
263 | (1) |
|
|
|
263 | (1) |
|
14.2.9 Challenges of DLFCs |
|
|
264 | (1) |
|
14.2.10 Fuel Conversion and Cathode Flooding |
|
|
264 | (1) |
|
14.2.11 Chemical Safety and By-product Production |
|
|
265 | (1) |
|
14.2.12 Unproven Long-term Durability |
|
|
265 | (2) |
|
|
|
267 | (4) |
|
Part VII CO2 Reduction and Device |
|
|
271 | (74) |
|
|
|
273 | (16) |
|
15.1 Basic Parameters of the CO2 Reduction Reaction |
|
|
276 | (9) |
|
15.1.1 The Fundamental Parameters to Evaluate the Catalytic Activity |
|
|
276 | (1) |
|
15.1.1.1 Overpotential (n) |
|
|
276 | (1) |
|
15.1.1.2 Faradaic Efficiency (FE) |
|
|
276 | (1) |
|
15.1.1.3 Current Density (J) |
|
|
277 | (1) |
|
15.1.1.4 Energy Efficiency (EE) |
|
|
277 | (1) |
|
|
|
278 | (1) |
|
15.1.2 Factors Affecting ECDRR |
|
|
278 | (1) |
|
15.1.2.1 Solvent/Electrolyte |
|
|
278 | (2) |
|
|
|
280 | (1) |
|
15.1.2.3 Cations and Anions |
|
|
281 | (1) |
|
|
|
282 | (1) |
|
15.1.2.5 Temperature and Pressure Effect |
|
|
282 | (1) |
|
|
|
283 | (1) |
|
|
|
283 | (1) |
|
|
|
284 | (1) |
|
15.1.3.3 Experimental Process and Analysis Methods |
|
|
284 | (1) |
|
|
|
285 | (4) |
|
|
|
289 | (20) |
|
16.1 Heterogeneous Electrochemical CO2 Reduction Reaction |
|
|
289 | (1) |
|
16.2 Thermodynamic and Kinetic Parameters of Heterogeneous CO2 Reduction in Liquid Phase |
|
|
289 | (17) |
|
|
|
293 | (1) |
|
16.2.2 Nanoscale Metal and Oxidant Metal Catalysts |
|
|
294 | (1) |
|
|
|
295 | (1) |
|
|
|
296 | (1) |
|
|
|
297 | (1) |
|
|
|
298 | (1) |
|
|
|
299 | (2) |
|
|
|
301 | (5) |
|
|
|
306 | (3) |
|
|
|
309 | (13) |
|
17.1 Single-Atom Metal-Doped Carbon Catalysts (SACs) |
|
|
309 | (8) |
|
|
|
309 | (2) |
|
|
|
311 | (1) |
|
|
|
311 | (3) |
|
|
|
314 | (1) |
|
|
|
314 | (2) |
|
|
|
316 | (1) |
|
17.2 Metal Nanoparticles-Doped Carbon Catalysts |
|
|
317 | (3) |
|
17.3 Porous Organic Material |
|
|
320 | (2) |
|
17.3.1 Metal Organic Frameworks (MOFs) |
|
|
320 | (1) |
|
17.3.2 Covalent Organic Frameworks (COFs) |
|
|
321 | (1) |
|
17.3.3 Metal-Free Catalyst |
|
|
322 | (1) |
|
17 A Metal-Free Carbon-Based Catalyst |
|
|
322 | (9) |
|
17.4.1 Other Metal-Free Catalyst |
|
|
324 | (1) |
|
17.5 Electrochemical CO Reduction Reaction |
|
|
324 | (3) |
|
17.5.1 The Importance of CO Reduction Study |
|
|
324 | (2) |
|
17.5.2 Advances in CO Reduction |
|
|
326 | (1) |
|
|
|
327 | (4) |
|
|
|
331 | (14) |
|
|
|
331 | (2) |
|
|
|
333 | (5) |
|
18.3 Requirements and Challenges for Next-Generation CO2 Reduction Cell |
|
|
338 | (4) |
|
18.3.1 Wide Range of Electrocatalysts |
|
|
338 | (1) |
|
18.3.2 Fundamental Factor Influencing the Catalytic Activity for ECDRR |
|
|
339 | (1) |
|
18.3.3 Device Engineering |
|
|
340 | (2) |
|
|
|
342 | (3) |
|
Part VIII Computations-Guided Electrocatalysis |
|
|
345 | (76) |
|
19 Insights into the Catalytic Process |
|
|
347 | (8) |
|
19.1 Electric Double Layer |
|
|
347 | (2) |
|
19.2 Kinetics and Thermodynamics |
|
|
349 | (1) |
|
19.3 Electrode Potential Effects |
|
|
350 | (5) |
|
|
|
352 | (3) |
|
20 Computational Electrocatalysis |
|
|
355 | (22) |
|
20.1 Computational Screening Toward Calculation Theories |
|
|
356 | (2) |
|
20.2 Reactivity Descriptors |
|
|
358 | (3) |
|
20.2.1 d-band Theory Motivates Electronic Descriptor |
|
|
359 | (2) |
|
20.2.2 Coordination Numbers Motives Structure Descriptor |
|
|
361 | (1) |
|
20.3 Scaling Relationships: Applications of Descriptors |
|
|
361 | (2) |
|
20.4 The Activity Principles and the Volcano Curve |
|
|
363 | (3) |
|
|
|
366 | (11) |
|
|
|
367 | (1) |
|
|
|
368 | (3) |
|
|
|
371 | (3) |
|
|
|
374 | (3) |
|
21 Theory-Guided Rational Design |
|
|
377 | (14) |
|
21.1 Descriptors-Guided Screening |
|
|
377 | (3) |
|
21.2 Scaling Relationship-Guided Trends |
|
|
380 | (6) |
|
21.2.1 Reactivity Trends of ECR |
|
|
380 | (2) |
|
21.2.2 Reactivity Trends of O-included Reactions |
|
|
382 | (3) |
|
21.2.3 Reactivity Trends of H-included Reactions |
|
|
385 | (1) |
|
21.3 DOS-Guided Models and Active Sites |
|
|
386 | (5) |
|
|
|
388 | (3) |
|
22 DFT Applications in Selected Electrocatalytic Systems |
|
|
391 | (30) |
|
22.1 Unveiling the Electrocatalytic Mechanism |
|
|
391 | (15) |
|
|
|
393 | (1) |
|
|
|
394 | (2) |
|
|
|
396 | (1) |
|
|
|
397 | (1) |
|
|
|
398 | (2) |
|
22.1.6 CO Oxidation Reaction |
|
|
400 | (2) |
|
|
|
402 | (1) |
|
|
|
402 | (2) |
|
|
|
404 | (2) |
|
22.2 Understanding the Electrocatalytic Environment |
|
|
406 | (4) |
|
|
|
406 | (3) |
|
|
|
409 | (1) |
|
22.3 Analyzing the Electrochemical Kinetics |
|
|
410 | (3) |
|
22.4 Perspectives, Challenges, and Future Direction of DFT Computation in Electrocatalysis |
|
|
413 | (8) |
|
|
|
414 | (7) |
|
Part IX Potential of In Situ Characterizations for Electrocatalysis |
|
|
421 | (44) |
|
|
|
422 | (1) |
|
23 In Situ Characterization Techniques |
|
|
423 | (18) |
|
23.1 Optical Characterization Techniques |
|
|
423 | (4) |
|
23.1.1 Infrared Spectroscopy |
|
|
423 | (1) |
|
23.1.2 Raman Spectroscopy |
|
|
424 | (2) |
|
23.1.3 UV-vis Spectroscopy |
|
|
426 | (1) |
|
23.2 X-Ray Characterization Techniques |
|
|
427 | (4) |
|
23.2.1 X-Ray Diffraction (XRD) |
|
|
429 | (1) |
|
23.2.2 X-Ray Absorption Spectroscopy (XAS) |
|
|
429 | (2) |
|
23.2.3 X-Ray Photoelectron Spectroscopy (XPS) |
|
|
431 | (1) |
|
23.3 Mass Spectrometry Characterization Techniques |
|
|
431 | (1) |
|
23.4 Electron-Based Characterization Techniques |
|
|
432 | (9) |
|
23.4.1 Transmission Electron Microscopy (TEM) |
|
|
434 | (1) |
|
23.4.2 Scanning Probe Microscopy (SPM) |
|
|
434 | (2) |
|
|
|
436 | (5) |
|
24 In Situ Characterizations in Electrocatalytic Cycle |
|
|
441 | (24) |
|
24.1 Investigating the Real Active Centers |
|
|
441 | (8) |
|
24.1.1 Monitoring the Electronic Structure |
|
|
442 | (2) |
|
24.1.2 Monitoring the Atomic Structure |
|
|
444 | (2) |
|
24.1.3 Monitoring the Catalyst Phase Transformation |
|
|
446 | (3) |
|
24.2 Investigating the Reaction Mechanism |
|
|
449 | (8) |
|
24.2.1 Through Adsorption/Activation Understanding |
|
|
450 | (1) |
|
24.2.2 Through Intermediates In Situ Probing |
|
|
451 | (3) |
|
24.2.3 Through Catalytic Product In Situ Detections |
|
|
454 | (3) |
|
24.3 Evaluating the Catalyst Stability/Decay |
|
|
457 | (3) |
|
24.4 Revealing the Interfacial-Related Insights |
|
|
460 | (2) |
|
|
|
462 | (3) |
|
|
|
462 | (3) |
|
Part X Electrochemical Catalytic Carbon Cycle |
|
|
465 | (40) |
|
|
|
466 | (1) |
|
25 Electrochemical CO2 Reduction to Fuels |
|
|
467 | (16) |
|
|
|
479 | (4) |
|
26 Electrochemical Fuel Oxidation |
|
|
483 | (16) |
|
|
|
495 | (4) |
|
27 Evaluation and Management of ECC |
|
|
499 | (6) |
|
27.1 Basic Performance Index |
|
|
499 | (1) |
|
27.2 CO2 Capture and Fuel Transport |
|
|
500 | (1) |
|
|
|
500 | (2) |
|
|
|
502 | (3) |
| References |
|
505 | (2) |
| Index |
|
507 | |