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Epitaxial Design of Complex Nickelates as Electrocatalysts for the Oxygen Evolution Reaction

Journal Article · · Advanced Energy Materials
 [1];  [1];  [2];  [3];  [1];  [1]
  1. Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland WA 99354 USA
  2. Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland WA 99354 USA, School of Chemical Biological and Environmental Engineering Oregon State University Corvallis OR 97331 USA
  3. Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology Daejeon 34141 Republic of Korea
Abstract

The oxygen evolution reaction (OER) is a crucial process in electrochemical water splitting, a promising technology to renewably yield hydrogen gas from water. Designing and developing earth‐abundant, efficient, and stable OER electrocatalysts to replace the most widely used but scarce RuO 2 and IrO 2 are thus of critical interest. Recently, ABO 3 ‐structured perovskite oxides, especially rare‐earth nickelates, are extensively studied for their potential use as OER electrocatalysts. In particular, the epitaxial synthesis of complex oxide thin films allows flexible and precise control over the materials so that their structure–stability–property relationships can be established. Using nickelate thin films as model systems, this review illustrates how epitaxial design allows researchers to test different hypotheses and proposed descriptors, as well as formulate new design principles. Following a brief introduction to the background of OER mechanisms, proposed activity descriptors, and synthesis methods, various epitaxial design strategies are surveyed including strain tuning, composition control, surface termination/orientation selection, defect engineering, and interface design. These have led to precise control over the atomic structures and electronic properties of nickelates which in turn determine their electrochemical performance. Finally, the remaining challenges and perspectives toward a deeper understanding and use of complex oxides as OER catalysts are discussed.

Sponsoring Organization:
USDOE
OSTI ID:
1971184
Alternate ID(s):
OSTI ID: 1983501
Journal Information:
Advanced Energy Materials, Journal Name: Advanced Energy Materials Journal Issue: 22 Vol. 13; ISSN 1614-6832
Publisher:
Wiley Blackwell (John Wiley & Sons)Copyright Statement
Country of Publication:
Germany
Language:
English

References (107)

Tuning Bifunctional Oxygen Electrocatalysts by Changing the A-Site Rare-Earth Element in Perovskite Nickelates journal August 2018
Enhanced Electrocatalytic Oxygen Evolution Activity by Tuning Both the Oxygen Vacancy and Orbital Occupancy of B‐Site Metal Cation in NdNiO 3 journal June 2019
Carbon‐Supported High‐Entropy Oxide Nanoparticles as Stable Electrocatalysts for Oxygen Reduction Reactions journal March 2021
Advanced High Entropy Perovskite Oxide Electrocatalyst for Oxygen Evolution Reaction journal May 2021
High Configuration Entropy Activated Lattice Oxygen for O 2 Formation on Perovskite Electrocatalyst journal April 2022
Hole‐Trapping‐Induced Stabilization of Ni 4 + in SrNiO 3 /LaFeO 3 Superlattices journal October 2020
Tuning the Electronic Structure of LaNiO 3 through Alloying with Strontium to Enhance Oxygen Evolution Activity journal August 2019
Decoupled Electrochemical Water Splitting: From Fundamentals to Applications journal October 2020
What Makes High‐Entropy Alloys Exceptional Electrocatalysts? journal October 2021
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
Facilitating the Deprotonation of OH to O through Fe 4+ ‐Induced States in Perovskite LaNiO 3 Enables a Fast Oxygen Evolution Reaction journal March 2021
Development of Perovskite Oxide‐Based Electrocatalysts for Oxygen Evolution Reaction journal July 2021
Surface‐Tailored Medium Entropy Alloys as Radically Low Overpotential Oxygen Evolution Electrocatalysts journal January 2022
Oxygen Evolution Reaction in Energy Conversion and Storage: Design Strategies Under and Beyond the Energy Scaling Relationship journal April 2022
Activating p-Blocking Centers in Perovskite for Efficient Water Splitting journal December 2018
Reaction descriptors for the oxygen evolution reaction: Recent advances, challenges, and opportunities journal October 2022
Stability challenges of electrocatalytic oxygen evolution reaction: From mechanistic understanding to reactor design journal July 2021
Surface dissolution and amorphization of electrocatalysts during oxygen evolution reaction: Atomistic features and viewpoints journal September 2022
Exploring the potential of high entropy perovskite oxides as catalysts for water oxidation journal December 2022
Dynamic Lattice Oxygen Participation on Perovskite LaNiO 3 during Oxygen Evolution Reaction journal June 2020
Direct Imaging of the Structural and Morphological Evolution of Epitaxial LiCoO2 Films during Charge and Overcharge journal September 2022
Understanding the Phase Equilibrium and Kinetics of Electrochemically Driven Phase Transition in CoOxHy during Electrocatalytic Reactions journal September 2022
Iron-Based Perovskites for Catalyzing Oxygen Evolution Reaction journal March 2018
Influence of LaFeO 3 Surface Termination on Water Reactivity journal February 2017
Enhanced Oxygen Evolution Electrocatalysis in Strained A-Site Cation Deficient LaNiO 3 Perovskite Thin Films journal November 2020
Understanding the Electronic Structure Evolution of Epitaxial LaNi1–xFexO3 Thin Films for Water Oxidation journal September 2021
Formation of Two-Dimensional Homologous Faults and Oxygen Electrocatalytic Activities in a Perovskite Nickelate journal April 2017
Synergistic Role of Eg Filling and Anion–Cation Hybridization in Enhancing the Oxygen Evolution Reaction Activity in Nickelates journal October 2021
Optimized Conductivity and Spin States in N-Doped LaCoO3 for Oxygen Electrocatalysis journal January 2021
Unusual Role of Point Defects in Perovskite Nickelate Electrocatalysts journal May 2021
Controlling the Cation Exsolution of Perovskite to Customize Heterostructure Active Site for Oxygen Evolution Reaction journal May 2022
Correction to “Self-healing Growth of LaNiO3 on a Mixed-Terminated Perovskite Surface” journal September 2022
Oxygen Vacancy Induced Room-Temperature Metal–Insulator Transition in Nickelate Films and Its Potential Application in Photovoltaics journal April 2016
Strain Effect on Oxygen Evolution Reaction Activity of Epitaxial NdNiO 3 Thin Films journal March 2019
Tuning Photovoltaic Performance of Perovskite Nickelates Heterostructures by Changing the A-Site Rare-Earth Element journal April 2019
Ambipolar Enhanced Oxygen Evolution Reaction in Flexible van der Waals LaNiO3 Membrane journal March 2022
A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution journal January 2016
Role of Lattice Oxygen Participation in Understanding Trends in the Oxygen Evolution Reaction on Perovskites journal April 2018
Higher-Valent Nickel Oxides with Improved Oxygen Evolution Activity and Stability in Alkaline Media Prepared by High-Temperature Treatment of Ni(OH)2 journal February 2020
A High-Entropy Oxide as High-Activity Electrocatalyst for Water Oxidation journal March 2023
Structural Anisotropy Determining the Oxygen Evolution Mechanism of Strongly Correlated Perovskite Nickelate Electrocatalyst journal March 2021
An Investigation of Thin-Film Ni–Fe Oxide Catalysts for the Electrochemical Evolution of Oxygen journal August 2013
Mechanism of Oxygen Evolution Catalyzed by Cobalt Oxyhydroxide: Cobalt Superoxide Species as a Key Intermediate and Dioxygen Release as a Rate-Determining Step journal June 2020
Oxygen Evolution Reaction in Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ Aided by Intrinsic Co/Fe Spinel-Like Surface journal August 2020
Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO 3 Perovskites journal February 2016
Oxygen Evolution Reaction Dynamics, Faradaic Charge Efficiency, and the Active Metal Redox States of Ni–Fe Oxide Water Splitting Electrocatalysts journal April 2016
Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K -edge X-ray Absorption Spectroscopy journal January 2014
A pentanuclear iron catalyst designed for water oxidation journal February 2016
Strongly correlated perovskite fuel cells journal May 2016
Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution journal January 2017
Water electrolysis on La1−xSrxCoO3−δ perovskite electrocatalysts journal March 2016
Striped nanoscale phase separation at the metal–insulator transition of heteroepitaxial nickelates journal November 2016
Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution journal September 2013
Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films journal November 2013
Covalency-reinforced oxygen evolution reaction catalyst journal September 2015
Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in La0.5Sr1.5Ni1−xFexO4±δ Ruddlesden-Popper oxides journal August 2018
Atomic-scale perturbation of oxygen octahedra via surface ion exchange in perovskite nickelates boosts water oxidation journal June 2019
Promoting nickel oxidation state transitions in single-layer NiFeB hydroxide nanosheets for efficient oxygen evolution journal October 2022
Tuning electrochemically driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis journal January 2021
Superconductivity in an infinite-layer nickelate journal August 2019
In situ Raman spectroscopy reveals the structure and dissociation of interfacial water journal December 2021
Uncovering The Role of Oxygen in Ni-Fe(OxHy) Electrocatalysts using In situ Soft X-ray Absorption Spectroscopy during the Oxygen Evolution Reaction journal February 2019
Charge-transfer-energy-dependent oxygen evolution reaction mechanisms for perovskite oxides journal January 2017
Advanced non-noble materials in bifunctional catalysts for ORR and OER toward aqueous metal–air batteries journal January 2020
Decoupled electrochemical water-splitting systems: a review and perspective journal January 2021
An A-site management and oxygen-deficient regulation strategy with a perovskite oxide electrocatalyst for the oxygen evolution reaction journal January 2022
Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La0.5Sr0.5Ni1−xFexO3−δ thin films journal January 2023
Deeper mechanistic insights into epitaxial nickelate electrocatalysts for the oxygen evolution reaction journal January 2023
Phonon Raman scattering of perovskite LaNiO3 thin films journal July 2010
Nonstoichiometric material transfer in the pulsed laser deposition of LaAlO3 journal September 2010
Pulsed laser deposition with simultaneous in situ real-time monitoring of optical spectroscopic ellipsometry and reflection high-energy electron diffraction journal April 2013
Phase diagram of compressively strained nickelate thin films journal September 2013
Reproducibility and off-stoichiometry issues in nickelate thin films grown by pulsed laser deposition journal January 2017
Band alignment and electrocatalytic activity at the p - n La 0.88 Sr 0.12 FeO 3 /SrTiO 3 (001) heterojunction journal June 2018
Aspects of the synthesis of thin film superconducting infinite-layer nickelates journal April 2020
Vibrational properties of LaNiO 3 films in the ultrathin regime journal June 2020
In situ x-ray and electron scattering studies of oxide molecular beam epitaxial growth journal October 2020
Band gap tuning of nickelates for photovoltaic applications journal October 2016
Preparation of Superconducting Thin Films of Infinite-Layer Nickelate Nd 0.8 Sr 0.2 NiO 2 journal July 2021
Probing adsorbates on La 1−x Sr x NiO 3−δ surfaces under humid conditions: implications for the oxygen evolution reaction journal April 2021
Rare-earth nickelates R NiO 3 : thin films and heterostructures journal February 2018
Manipulating the polar mismatch at the LaNi O 3 / SrTi O 3 (111) interface journal April 2017
Metal-Insulator Transition in Ultrathin LaNiO 3 Films journal June 2011
Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films journal September 2011
Effect of Growth Induced (Non)Stoichiometry on Interfacial Conductance in LaAlO 3 / SrTiO 3 journal May 2013
Spontaneous Polarization and Bulk Photovoltaic Effect Driven by Polar Discontinuity in LaFeO 3 / SrTiO 3 Heterojunctions journal April 2016
Phase Diagram and Superconducting Dome of Infinite-Layer Nd 1 − x Sr x NiO 2 Thin Films journal October 2020
Precise Determination of the Valence-Band Edge in X-Ray Photoemission Spectra: Application to Measurement of Semiconductor Interface Potentials journal June 1980
Polarity-driven oxygen vacancy formation in ultrathin LaNiO 3 films on SrTiO 3 journal October 2017
Influence of crystalline order and defects on the absolute work functions and electron affinities of Ti O 2 - and SrO-terminated n − SrTi O 3 ( 001 ) journal December 2019
Synthesis and electronic properties of epitaxial SrNiO3/SrTiO3 superlattices journal July 2022
Introductory guide to the application of XPS to epitaxial films and heterostructures journal December 2020
Epitaxial oxide thin films for oxygen electrocatalysis: A tutorial review journal January 2022
Spontaneous phase segregation of Sr 2 NiO 3 and SrNi 2 O 3 during SrNiO 3 heteroepitaxy journal March 2021
A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles journal October 2011
Combining theory and experiment in electrocatalysis: Insights into materials design journal January 2017
Perovskites in catalysis and electrocatalysis journal November 2017
Reconfigurable perovskite nickelate electronics for artificial intelligence journal February 2022
High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery journal April 2022
Surface Sensitive X-Ray Scattering journal August 1990
The Electrocatalysis of Oxygen Evolution on Perovskites journal January 1984
Impact of Strontium-Substitution on Oxygen Evolution Reaction of Lanthanum Nickelates in Alkaline Solution journal January 2018
Activity-Stability Relationships in Oxide Electrocatalysts for Water Electrolysis journal June 2022
The Sabatier Principle in Electrocatalysis: Basics, Limitations, and Extensions journal May 2021
Impact of Cation Stoichiometry on the Crystalline Structure and Superconductivity in Nickelates journal September 2021
Simplified Determination of RHEED Patterns and Its Explanation Shown with the Use of 3D Computer Graphics journal June 2021

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