Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Mechanisms of water oxidation on heterogeneous catalyst surfaces

Journal Article · · Nano Research
 [1];  [2];  [3];  [2]
  1. Suzhou Univ. of Science and Technology (China); Boston College
  2. Boston College, Chestnut Hill, MA (United States)
  3. Suzhou Univ. of Science and Technology (China); Southwest Univ., Chongqing (China)
Water oxidation, an essential step in photosynthesis, has attracted intense research attention. Understanding the reaction pathways at the electrocatalyst/water interface is of great importance for the development of water oxidation catalysts. How the water is oxidized on the electrocatalyst surface by the positive charges is still an open question. This review summarizes current advances in studies on surface chemistry within the context of water oxidation, including the intermediates, reaction mechanisms, and their influences on the reaction kinetics. The Tafel analyses of some electrocatalysts and the rate-laws relative to charge consumption rates are also presented. Moreover, how the multiple charge transfer relies on the intermediate coverage and the accumulated charge numbers is outlined. Finally, the intermediates and rate-determining steps on some water oxidation catalysts are discussed based on density functional theories.
Research Organization:
Boston College, Chestnut Hill, MA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
SC0020261
OSTI ID:
1787230
Journal Information:
Nano Research, Journal Name: Nano Research Journal Issue: 10 Vol. 14; ISSN 1998-0124
Publisher:
SpringerCopyright Statement
Country of Publication:
United States
Language:
English

References (100)

Polyhedral 30-Faceted BiVO 4 Microcrystals Predominantly Enclosed by High-Index Planes Promoting Photocatalytic Water-Splitting Activity journal November 2017
Ultra‐Narrow Depletion Layers in a Hematite Mesocrystal‐Based Photoanode for Boosting Multihole Water Oxidation journal April 2020
The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis journal June 2010
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces journal March 2011
A Theoretical Study on the Mechanism of Photocatalytic Oxygen Evolution on BiVO 4 in Aqueous Solution journal December 2012
In Situ/Operando Characterization Techniques to Probe the Electrochemical Reactions for Energy Conversion journal April 2018
Hydroxylated high-entropy alloy as highly efficient catalyst for electrochemical oxygen evolution reaction journal September 2020
Photocatalytic reactivity for O2− and OH radical formation in anatase and rutile TiO2 suspension as the effect of H2O2 addition journal May 2007
Observation of a potential-dependent switch of water-oxidation mechanism on Co-oxide-based catalysts journal April 2021
First-principles calculations of water adsorption on perfect and defect WO3(0 0 1) journal July 2018
Electrolysis of water on oxide surfaces journal September 2007
In operando Raman investigation of Fe doping influence on catalytic NiO intermediates for enhanced overall water splitting journal December 2019
Thermo-selenizing to rationally tune surface composition and evolve structure of stainless steel to electrocatalytically boost oxygen evolution reaction journal September 2020
Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles journal October 2015
Periodic DFT study of water adsorption on m-WO3(001), m-WO3(100), h-WO3(001) and h-WO3(100). Role of hydroxyl groups on the stability of polar hexagonal surfaces journal April 2020
Oxygenic photosynthesis: history, status and perspective journal January 2019
In Situ / Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy journal September 2020
Earth-Abundant Heterogeneous Water Oxidation Catalysts journal October 2016
Crystal Facet Engineering of Photoelectrodes for Photoelectrochemical Water Splitting journal March 2019
Boosted Water Oxidation Activity and Kinetics on BiVO 4 Photoanodes with Multihigh-Index Crystal Facets journal December 2018
Oxygen Evolution at Hematite Surfaces: The Impact of Structure and Oxygen Vacancies on Lowering the Overpotential journal August 2016
Orientation Sensitivity of Oxygen Evolution Reaction on Hematite journal December 2016
Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO 2 (110) journal May 2017
Photooxidation of Water on Pristine, S- and N-Doped TiO 2 (001) Nanotube Surfaces: A DFT + U Study journal August 2019
Photocatalysis: From Fundamental Principles to Materials and Applications journal October 2018
Ambient-Stable Black Phosphorus-Based 2D/2D S-Scheme Heterojunction for Efficient Photocatalytic CO 2 Reduction to Syngas journal April 2021
H 2 O Adsorption on WO 3 and WO 3– x (001) Surfaces journal June 2017
Anisotropic Electronic Characteristics, Adsorption, and Stability of Low-Index BiVO 4 Surfaces for Photoelectrochemical Applications journal January 2018
Why Do We Use the Materials and Operating Conditions We Use for Heterogeneous (Photo)Electrochemical Water Splitting? journal August 2020
Advances in Thermodynamic-Kinetic Model for Analyzing the Oxygen Evolution Reaction journal July 2020
Water Oxidation Kinetics of Accumulated Holes on the Surface of a TiO 2 Photoanode: A Rate Law Analysis journal June 2017
Characterization of Electrocatalytic Water Splitting and CO 2 Reduction Reactions Using In Situ/Operando Raman Spectroscopy journal October 2017
Oxygen Evolution Reaction on Perovskites: A Multieffect Descriptor Study Combining Experimental and Theoretical Methods journal September 2018
Oxygen Evolution Reaction—The Enigma in Water Electrolysis journal September 2018
The Catalytic Cycle of Water Oxidation in Crystallized Photosystem II Complexes: Performance and Requirements for Formation of Intermediates journal January 2019
A Thiadiazole-Based Covalent Organic Framework: A Metal-Free Electrocatalyst toward Oxygen Evolution Reaction journal April 2020
Rate Law Analysis of Water Oxidation and Hole Scavenging on a BiVO 4 Photoanode journal August 2016
Understanding Photoelectrochemical Water Oxidation with X-ray Absorption Spectroscopy journal February 2020
Metal-Free Oxygen Evolution and Oxygen Reduction Reaction Bifunctional Electrocatalyst in Alkaline Media: From Mechanisms to Structure–Catalytic Activity Relationship journal March 2018
Tafel Kinetics of Electrocatalytic Reactions: From Experiment to First-Principles journal November 2014
Photo-Oxidation of Water on Defective Hematite(0001) journal December 2014
Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings journal September 2010
Direct Observation of a Hydroperoxide Surface Intermediate upon Visible Light-Driven Water Oxidation at an Ir Oxide Nanocluster Catalyst by Rapid-Scan FT-IR Spectroscopy journal August 2011
Mechanisms of pH-Dependent Activity for Water Oxidation to Molecular Oxygen by MnO 2 Electrocatalysts journal January 2012
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water journal August 2013
Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices journal March 2015
Rate Law Analysis of Water Oxidation on a Hematite Surface journal May 2015
Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts journal March 2016
Rate-Limiting O–O Bond Formation Pathways for Water Oxidation on Hematite Photoanode journal February 2018
Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation journal January 2019
Dynamic Role of Cluster Cocatalysts on Molecular Photoanodes for Water Oxidation journal August 2019
Water Molecule Adsorption Properties on the BiVO 4 (100) Surface journal May 2006
Oxidation and Photo-Oxidation of Water on TiO 2 Surface journal June 2008
Water Adsorption on α-Fe 2 O 3 (0001) at near Ambient Conditions journal January 2010
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution journal February 2001
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å journal April 2011
Towards the computational design of solid catalysts journal April 2009
Time-resolved observations of water oxidation intermediates on a cobalt oxide nanoparticle catalyst journal February 2014
Determination of photoelectrochemical water oxidation intermediates on haematite electrode surfaces using operando infrared spectroscopy journal July 2016
Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution journal January 2017
Solar water splitting by photovoltaic-electrolysis with a solar-to-hydrogen efficiency over 30% journal October 2016
Materials for solar fuels and chemicals journal December 2016
Chromium-ruthenium oxide solid solution electrocatalyst for highly efficient oxygen evolution reaction in acidic media journal January 2019
Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction journal October 2019
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential journal November 2019
Spectroelectrochemical study of water oxidation on nickel and iron oxyhydroxide electrocatalysts journal November 2019
Direct evidence of boosted oxygen evolution over perovskite by enhanced lattice oxygen participation journal April 2020
Reaction kinetics and interplay of two different surface states on hematite photoanodes for water oxidation journal January 2021
Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT journal October 2019
Chemical and structural origin of lattice oxygen oxidation in Co–Zn oxyhydroxide oxygen evolution electrocatalysts journal March 2019
Interfacing nature’s catalytic machinery with synthetic materials for semi-artificial photosynthesis journal October 2018
Structures of the intermediates of Kok’s photosynthetic water oxidation clock journal November 2018
Key role of chemistry versus bias in electrocatalytic oxygen evolution journal November 2020
Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2 journal April 2018
The stability number as a metric for electrocatalyst stability benchmarking journal June 2018
Water oxidation on a mononuclear manganese heterogeneous catalyst journal October 2018
Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces journal May 2020
Generation mechanism of hydroxyl radical species and its lifetime prediction during the plasma-initiated ultraviolet (UV) photolysis journal March 2015
Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion journal September 2015
CHAPTER 2. Kinetics and Mechanisms of Light-Driven Reactions at Semiconductor Electrodes: Principles and Techniques book January 2013
In situ Raman and surface-enhanced Raman spectroscopy on working electrodes: spectroelectrochemical characterization of water oxidation electrocatalysts journal January 2015
The importance of nickel oxyhydroxide deprotonation on its activity towards electrochemical water oxidation journal January 2016
Electrocatalysis for the oxygen evolution reaction: recent development and future perspectives journal January 2017
Structural motifs of water on metal oxide surfaces journal January 2017
A review on fundamentals for designing oxygen evolution electrocatalysts journal January 2020
Molecular and heterogeneous water oxidation catalysts: recent progress and joint perspectives journal January 2021
Charge carrier trapping, recombination and transfer in hematite (α-Fe2O3) water splitting photoanodes journal January 2013
Thermodynamic Limitations of Photosynthetic Water Oxidation at High Proton Concentrations journal April 2011
Mixed Dissociative and Molecular Adsorption of Water on the Rutile (110) Surface journal January 1998
Structure and Energetics of Water Adsorbed at TiO 2 Anatase \(101\) and \(001\) Surfaces journal October 1998
COOPERATION OF CHARGES IN PHOTOSYNTHETIC O 2 EVOLUTION–I. A LINEAR FOUR STEP MECHANISM journal June 1970
Photosynthetic O2 Formation Tracked by Time-Resolved X-ray Experiments journal November 2005
Research opportunities to advance solar energy utilization journal January 2016
Combining theory and experiment in electrocatalysis: Insights into materials design journal January 2017
Homogeneously dispersed multimetal oxygen-evolving catalysts journal March 2016
Perovskites in catalysis and electrocatalysis journal November 2017
Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data journal June 2020
Water Oxidation Mechanisms of Metal Oxide Catalysts by Vibrational Spectroscopy of Transient Intermediates journal May 2017
Temperature Programmed Desorption Study of Water Adsorbed on Metal Oxides. I. Anatase and Rutile journal November 1978
Standard electrode potentials involving radicals in aqueous solution: inorganic radicals (IUPAC Technical Report) journal December 2015