Combining theory and experiment in electrocatalysis: Insights into materials design
Abstract
Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocatalysts and associated materials for several different electrochemical transformations involving water, hydrogen, and oxygen, using theory as a means to rationalize catalyst performance. By examining the common principles that govern catalysis for different electrochemical reactions, we describe a systematic framework that clarifies trends in catalyzing these reactions, serving as a guide to new catalyst development while highlighting key gaps that need to be addressed. Here, we conclude by extending this framework to emerging clean energy reactions such as hydrogen peroxide production, carbon dioxide reduction, and nitrogen reduction, where the development of improved catalysts could allow for the sustainable production of a broad range of fuels and chemicals.
- Authors:
-
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Institute of Materials Research and Engineering, Innovis (Singapore)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Technical Univ. of Denmark, Kongens Lyngby (Denmark)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Technical Univ. of Denmark, Kongens Lyngby (Denmark)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1349286
- Grant/Contract Number:
- AC02-76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Science
- Additional Journal Information:
- Journal Volume: 355; Journal Issue: 6321; Journal ID: ISSN 0036-8075
- Publisher:
- AAAS
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; 36 MATERIALS SCIENCE
Citation Formats
Seh, Zhi Wei, Kibsgaard, Jakob, Dickens, Colin F., Chorkendorff, Ib, Nørskov, Jens K., and Jaramillo, Thomas F. Combining theory and experiment in electrocatalysis: Insights into materials design. United States: N. p., 2017.
Web. doi:10.1126/science.aad4998.
Seh, Zhi Wei, Kibsgaard, Jakob, Dickens, Colin F., Chorkendorff, Ib, Nørskov, Jens K., & Jaramillo, Thomas F. Combining theory and experiment in electrocatalysis: Insights into materials design. United States. https://doi.org/10.1126/science.aad4998
Seh, Zhi Wei, Kibsgaard, Jakob, Dickens, Colin F., Chorkendorff, Ib, Nørskov, Jens K., and Jaramillo, Thomas F. Thu .
"Combining theory and experiment in electrocatalysis: Insights into materials design". United States. https://doi.org/10.1126/science.aad4998. https://www.osti.gov/servlets/purl/1349286.
@article{osti_1349286,
title = {Combining theory and experiment in electrocatalysis: Insights into materials design},
author = {Seh, Zhi Wei and Kibsgaard, Jakob and Dickens, Colin F. and Chorkendorff, Ib and Nørskov, Jens K. and Jaramillo, Thomas F.},
abstractNote = {Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocatalysts and associated materials for several different electrochemical transformations involving water, hydrogen, and oxygen, using theory as a means to rationalize catalyst performance. By examining the common principles that govern catalysis for different electrochemical reactions, we describe a systematic framework that clarifies trends in catalyzing these reactions, serving as a guide to new catalyst development while highlighting key gaps that need to be addressed. Here, we conclude by extending this framework to emerging clean energy reactions such as hydrogen peroxide production, carbon dioxide reduction, and nitrogen reduction, where the development of improved catalysts could allow for the sustainable production of a broad range of fuels and chemicals.},
doi = {10.1126/science.aad4998},
journal = {Science},
number = 6321,
volume = 355,
place = {United States},
year = {2017},
month = {1}
}
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A bifunctional and stable Ni–Co–S/Ni–Co–P bistratal electrocatalyst for 10.8%-efficient overall solar water splitting
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 41
Iodide-mediated templating synthesis of highly porous rhodium nanospheres for enhanced dehydrogenation of ammonia borane
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 47
Chainmail catalyst of ultrathin P-doped carbon shell-encapsulated nickel phosphides on graphene towards robust and efficient hydrogen generation
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 47
NiS 2 nanodotted carnation-like CoS 2 for enhanced electrocatalytic water splitting
journal, January 2019
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- Chemical Communications, Vol. 55, Issue 26
The dual-defective SnS 2 monolayers: promising 2D photocatalysts for overall water splitting
journal, January 2019
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- Physical Chemistry Chemical Physics, Vol. 21, Issue 48
Atomically dispersed metal catalysts for the oxygen reduction reaction: synthesis, characterization, reaction mechanisms and electrochemical energy applications
journal, January 2019
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- Energy & Environmental Science, Vol. 12, Issue 10
Host–guest chemistry between cyclodextrin and a hydrogen evolution catalyst cobaloxime
journal, January 2019
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- New Journal of Chemistry, Vol. 43, Issue 25
Well-defined CoSe 2 @MoSe 2 hollow heterostructured nanocubes with enhanced dissociation kinetics for overall water splitting
journal, January 2020
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Gallic acid-assisted synthesis of nitrogen-doped carbon microspheres as efficient bifunctional materials for oxygen reduction and volumetric lithium storage
journal, January 2020
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Tailoring the composition of a one-step electrodeposited Co,Ni/Co,Ni(OH) 2 composite coating for a highly active hydrogen evolution electrode
journal, January 2020
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- Sustainable Energy & Fuels, Vol. 4, Issue 1
Dual-nitrogen-source engineered Fe–N x moieties as a booster for oxygen electroreduction
journal, January 2019
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- Journal of Materials Chemistry A, Vol. 7, Issue 18
Quantifying robustness of DFT predicted pathways and activity determining elementary steps for electrochemical reactions
journal, January 2019
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- The Journal of Chemical Physics, Vol. 150, Issue 4
First-principles modeling of GaN(0001)/water interface: Effect of surface charging
journal, April 2019
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- The Journal of Chemical Physics, Vol. 150, Issue 15
Metal-organic frameworks and their derived materials for electrochemical energy storage and conversion: Promises and challenges
journal, December 2017
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Urchin-Like Nanorods of Binary NiCoS Supported on Nickel Foam for Electrocatalytic Overall Water Splitting
journal, January 2018
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- Journal of The Electrochemical Society, Vol. 165, Issue 3
Electrospun Cobalt-Doped MoS 2 Nanofibers for Electrocatalytic Hydrogen Evolution
journal, January 2019
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- Journal of The Electrochemical Society, Vol. 166, Issue 13
Perspectives on the photoelectrochemical storage of solar energy
journal, January 2017
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Rational Design of Nanoarray Architectures for Electrocatalytic Water Splitting
journal, January 2019
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- Advanced Functional Materials, Vol. 29, Issue 20
Accelerated Hydrogen Evolution Kinetics on NiFe-Layered Double Hydroxide Electrocatalysts by Tailoring Water Dissociation Active Sites
journal, January 2018
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- Advanced Materials, Vol. 30, Issue 10
Functionalization of Hollow Nanomaterials for Catalytic Applications: Nanoreactor Construction
journal, July 2018
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Fabrication of Single-Atom Catalysts with Precise Structure and High Metal Loading
journal, October 2018
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- Advanced Materials, Vol. 30, Issue 48
Polymer‐Based Synthetic Routes to Carbon‐Based Metal‐Free Catalysts
journal, October 2018
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Recent Advances in Carbon‐Based Metal‐Free Electrocatalysts
journal, December 2018
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Enhancing Electrocatalytic Water Splitting by Strain Engineering
journal, February 2019
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- Advanced Materials, Vol. 31, Issue 17
Rechargeable Zn–CO 2 Electrochemical Cells Mimicking Two‐Step Photosynthesis
journal, February 2019
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Cr‐Doped FeNi–P Nanoparticles Encapsulated into N‐Doped Carbon Nanotube as a Robust Bifunctional Catalyst for Efficient Overall Water Splitting
journal, February 2019
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- Advanced Materials, Vol. 31, Issue 15
Electrode Materials Engineering in Electrocatalytic CO 2 Reduction: Energy Input and Conversion Efficiency
journal, October 2019
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2D Electrocatalysts for Converting Earth‐Abundant Simple Molecules into Value‐Added Commodity Chemicals: Recent Progress and Perspectives
journal, October 2019
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2D Assembly of Confined Space toward Enhanced CO 2 Electroreduction
journal, July 2018
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Elektrifizierung der organischen Synthese
journal, March 2018
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- Angewandte Chemie, Vol. 130, Issue 20
Spatially Confined Assembly of Monodisperse Ruthenium Nanoclusters in a Hierarchically Ordered Carbon Electrode for Efficient Hydrogen Evolution
journal, April 2018
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Put the Sun in the Tank: Future Developments in Sustainable Energy Systems
journal, November 2018
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Exploring the Influence of Halogen Coordination Effect of Stable Bimetallic MOFs on Oxygen Evolution Reaction
journal, October 2019
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- Chemistry – A European Journal, Vol. 25, Issue 69
Zn−Co−S Colloidal Nanocrystal Clusters as Efficient and Durable Bifunctional Electrocatalysts For Full Water Splitting
journal, April 2019
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Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective
journal, January 2020
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Recent Studies on Bifunctional Perovskite Electrocatalysts in Oxygen Evolution, Oxygen Reduction, and Hydrogen Evolution Reactions under Alkaline Electrolyte
journal, May 2019
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Reduced Graphene Oxide-Wrapped Co 9- x Fe x S 8 /Co,Fe-N-C Composite as Bifunctional Electrocatalyst for Oxygen Reduction and Evolution
journal, January 2018
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Cobalt Phosphide Composite Encapsulated within N,P-Doped Carbon Nanotubes for Synergistic Oxygen Evolution
journal, April 2018
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Big to Small: Ultrafine Mo 2 C Particles Derived from Giant Polyoxomolybdate Clusters for Hydrogen Evolution Reaction
journal, February 2019
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- Small, Vol. 15, Issue 11
Nickel‐Doping Effect on Mn 3 O 4 Nanoparticles for Electrochemical Water Oxidation under Neutral Condition
journal, January 2020
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Electrochemical Behavior of Carbon Electrodes for In Situ Redox Studies in a Transmission Electron Microscope
journal, October 2019
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Corrosion engineering towards efficient oxygen evolution electrodes with stable catalytic activity for over 6000 hours
journal, July 2018
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Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO 3 oxides
journal, January 2018
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Identification of pH-dependent synergy on Ru/MoS 2 interface: a comparison of alkaline and acidic hydrogen evolution
journal, January 2017
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Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction
journal, January 2017
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Facile electrodeposition of cauliflower-like S-doped nickel microsphere films as highly active catalysts for electrochemical hydrogen evolution
journal, January 2017
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Template-directed synthesis of sulphur doped NiCoFe layered double hydroxide porous nanosheets with enhanced electrocatalytic activity for the oxygen evolution reaction
journal, January 2018
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Three-dimensionally patterned Ag–Pt alloy catalyst on planar Si photocathodes for photoelectrochemical H 2 evolution
journal, January 2019
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Cu( ii )-nanoparticle-derived structures under CO 2 reduction conditions: a matter of shape
journal, January 2019
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Highly efficient hydrogen evolution triggered by a multi-interfacial Ni/WC hybrid electrocatalyst
journal, January 2018
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A 2D metal–organic framework/Ni(OH) 2 heterostructure for an enhanced oxygen evolution reaction
journal, January 2019
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Morphology engineering of nickel molybdate hydrate nanoarray for electrocatalytic overall water splitting: from nanorod to nanosheet
journal, January 2018
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Recent progress in single-atom electrocatalysts: concept, synthesis, and applications in clean energy conversion
journal, January 2018
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Anthocephalus cadamba shaped FeNi encapsulated carbon nanostructures for metal–air batteries as a resilient bifunctional oxygen electrocatalyst
journal, January 2018
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3D nanoporous Ni/V 2 O 3 hybrid nanoplate assemblies for highly efficient electrochemical hydrogen evolution
journal, January 2018
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A highly efficient and durable water splitting system: platinum sub-nanocluster functionalized nickel–iron layered double hydroxide as the cathode and hierarchical nickel–iron selenide as the anode
journal, January 2019
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Confined Co 9 S 8 into a defective carbon matrix as a bifunctional oxygen electrocatalyst for rechargeable zinc–air batteries
journal, January 2019
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Nitrogen-doped metal-free carbon catalysts for (electro)chemical CO 2 conversion and valorisation
journal, January 2019
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Morphology control of metal-modified zirconium phosphate support structures for the oxygen evolution reaction
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Electro-synthesized Co(OH) 2 @CoSe with Co–OH active sites for overall water splitting electrocatalysis
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Regulating the electron density of dual transition metal sulfide heterostructures for highly efficient hydrogen evolution in alkaline electrolytes
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Ternary metal sulfides for electrocatalytic energy conversion
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Syngas production from electrocatalytic CO 2 reduction with high energetic efficiency and current density
journal, January 2019
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Synergistic electrocatalytic N 2 reduction using a PTCA nanorod–rGO hybrid
journal, January 2019
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- Journal of Materials Chemistry A, Vol. 7, Issue 20
Chestnut-like copper cobalt phosphide catalyst for all-pH hydrogen evolution reaction and alkaline water electrolysis
journal, January 2019
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- Journal of Materials Chemistry A, Vol. 7, Issue 23
One minute from pristine carbon to an electrocatalyst for hydrogen peroxide production
journal, January 2019
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- Journal of Materials Chemistry A, Vol. 7, Issue 37
Invigorating the catalytic performance of CoP through interfacial engineering by Ni 2 P precipitation
journal, January 2019
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Screening alloy electrocatalysts by combining magnetron sputtering and scanning electrochemical microscopy
journal, May 2019
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Nonlinear Optical Response of Graphene Oxide Langmuir-Blodgett Film as Saturable Absorbers
journal, April 2019
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- Nanomaterials, Vol. 9, Issue 4