DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides

ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. SUNCAT Center for Interface Sciences and Catalysis SLAC National Accelerator Laboratory 2575 Sand Hill Road, Mail Stop 31 Menlo Park CA 94025 USA, SUNCAT Center for Interface Sciences and Catalysis Chemical Engineering Stanford University 443 Via Ortega Stanford CA 94305 USA
  2. SUNCAT Center for Interface Sciences and Catalysis Chemical Engineering Stanford University 443 Via Ortega Stanford CA 94305 USA, Department of Chemical Engineering University of California, Davis 3100 Bainer Hall Davis CA 95616 USA
  3. SUNCAT Center for Interface Sciences and Catalysis SLAC National Accelerator Laboratory 2575 Sand Hill Road, Mail Stop 31 Menlo Park CA 94025 USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Additional Journal Information:
Journal Name: ChemCatChem Journal Volume: 11 Journal Issue: 15; Journal ID: ISSN 1867-3880
Wiley Blackwell (John Wiley & Sons)
Country of Publication:

Citation Formats

Zhao, Zhenghang, Schlexer Lamoureux, Philomena, Kulkarni, Ambarish, and Bajdich, Michal. Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides. Germany: N. p., 2019. Web. doi:10.1002/cctc.201900846.
Zhao, Zhenghang, Schlexer Lamoureux, Philomena, Kulkarni, Ambarish, & Bajdich, Michal. Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides. Germany.
Zhao, Zhenghang, Schlexer Lamoureux, Philomena, Kulkarni, Ambarish, and Bajdich, Michal. Wed . "Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides". Germany.
title = {Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides},
author = {Zhao, Zhenghang and Schlexer Lamoureux, Philomena and Kulkarni, Ambarish and Bajdich, Michal},
abstractNote = {},
doi = {10.1002/cctc.201900846},
journal = {ChemCatChem},
number = 15,
volume = 11,
place = {Germany},
year = {2019},
month = {7}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

2D Transition Metal Oxides/Hydroxides for Energy-Storage Applications
journal, December 2015

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides
journal, April 2017

  • Doyle, Andrew D.; Bajdich, Michal; Vojvodic, Aleksandra
  • Catalysis Letters, Vol. 147, Issue 6
  • DOI: 10.1007/s10562-017-2010-z

Revised Oxygen Evolution Reaction Activity Trends for First-Row Transition-Metal (Oxy)hydroxides in Alkaline Media
journal, August 2015

  • Burke, Michaela S.; Zou, Shihui; Enman, Lisa J.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 18
  • DOI: 10.1021/acs.jpclett.5b01650

Descriptors of Oxygen-Evolution Activity for Oxides: A Statistical Evaluation
journal, December 2015

  • Hong, Wesley T.; Welsch, Roy E.; Shao-Horn, Yang
  • The Journal of Physical Chemistry C, Vol. 120, Issue 1
  • DOI: 10.1021/acs.jpcc.5b10071

Layered transition metal oxyhydroxides as tri-functional electrocatalysts
journal, January 2015

  • Lim, Chee Shan; Chua, Chun Kiang; Sofer, Zdeněk
  • Journal of Materials Chemistry A, Vol. 3, Issue 22
  • DOI: 10.1039/C5TA02063H

Effects of Gold Substrates on the Intrinsic and Extrinsic Activity of High-Loading Nickel-Based Oxyhydroxide Oxygen Evolution Catalysts
journal, July 2017

  • Chakthranont, Pongkarn; Kibsgaard, Jakob; Gallo, Alessandro
  • ACS Catalysis, Vol. 7, Issue 8
  • DOI: 10.1021/acscatal.7b01070

Improving the Electrochemical Oxygen Reduction Activity of Manganese Oxide Nanosheets with Sulfurization-Induced Nanopores
journal, December 2017

Structure Effects of 2D Materials on α-Nickel Hydroxide for Oxygen Evolution Reaction
journal, March 2018

Trends in Activity and Dissolution on RuO 2 under Oxygen Evolution Conditions: Particles versus Well-Defined Extended Surfaces
journal, August 2018

Layered double hydroxides as a suitable substrate to improve the efficiency of Zn anode in neutral pH Zn-ion batteries
journal, July 2016

Recent developments in understanding factors of electrocatalysis
journal, October 2006

New approach to the delamination of layered double hydroxides
journal, January 2001

  • Hibino, Toshiyuki; Jones, William
  • Journal of Materials Chemistry, Vol. 11, Issue 5
  • DOI: 10.1039/b101135i

Active MnO x Electrocatalysts Prepared by Atomic Layer Deposition for Oxygen Evolution and Oxygen Reduction Reactions
journal, June 2012

  • Pickrahn, Katie L.; Park, Sang Wook; Gorlin, Yelena
  • Advanced Energy Materials, Vol. 2, Issue 10
  • DOI: 10.1002/aenm.201200230

Thermodynamic Evaluation of Trace-Amount Transition-Metal-Ion Doping in NiOOH Films
journal, January 2018

  • Tkalych, Alexander J.; Martirez, John Mark P.; Carter, Emily A.
  • Journal of The Electrochemical Society, Vol. 165, Issue 11
  • DOI: 10.1149/2.0101811jes

From 3D to 2D Co and Ni Oxyhydroxide Catalysts: Elucidation of the Active Site and Influence of Doping on the Oxygen Evolution Activity
journal, November 2017

Liquid Exfoliated Co(OH) 2 Nanosheets as Low-Cost, Yet High-Performance, Catalysts for the Oxygen Evolution Reaction
journal, January 2018

  • McAteer, David; Godwin, Ian J.; Ling, Zheng
  • Advanced Energy Materials, Vol. 8, Issue 15
  • DOI: 10.1002/aenm.201702965

Intercalation chemistry of layered double hydroxides: recent developments and applications
journal, January 2002

  • Khan, Aamir I.; O’Hare, Dermot
  • J. Mater. Chem., Vol. 12, Issue 11
  • DOI: 10.1039/B204076J

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

What Are Batteries, Fuel Cells, and Supercapacitors?
journal, October 2004

  • Winter, Martin; Brodd, Ralph J.
  • Chemical Reviews, Vol. 104, Issue 10, p. 4245-4270
  • DOI: 10.1021/cr020730k

Efficient Oxygen Electrocatalysis by Nanostructured Mixed-Metal Oxides
journal, May 2018

  • Gu, Xiang-Kui; Carneiro, Juliana S. A.; Samira, Samji
  • Journal of the American Chemical Society, Vol. 140, Issue 26
  • DOI: 10.1021/jacs.7b11138

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

  • Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
  • Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
  • DOI: 10.1088/0953-8984/9/4/002

An Advanced Ni–Fe Layered Double Hydroxide Electrocatalyst for Water Oxidation
journal, May 2013

  • Gong, Ming; Li, Yanguang; Wang, Hailiang
  • Journal of the American Chemical Society, Vol. 135, Issue 23
  • DOI: 10.1021/ja4027715

In Situ Structural and Electrochemical Study of Ni1−xCoxO2 Metastable Oxides Prepared by Soft Chemistry
journal, October 1999

  • Tarascon, J. M.; Vaughan, G.; Chabre, Y.
  • Journal of Solid State Chemistry, Vol. 147, Issue 1
  • DOI: 10.1006/jssc.1999.8465

First-principles prediction of the mechanical properties and electronic structure of ternary aluminum carbide Zr 3 Al 3 C 5
journal, April 2006

Influence of Electrolyte Cations on Ni(Fe)OOH Catalyzed Oxygen Evolution Reaction
journal, May 2017

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Hydrothermal preparation and low temperature magnetic properties of TbOOH, DyOOH, HoOOH, ErOOH, and YbOOH
journal, January 1972

Impact on electronic correlations on the structural stability, magnetism, and voltage of LiCoPO 4 battery
journal, June 2004

Layered double hydroxides toward electrochemical energy storage and conversion: design, synthesis and applications
journal, January 2015

  • Shao, Mingfei; Zhang, Ruikang; Li, Zhenhua
  • Chemical Communications, Vol. 51, Issue 88
  • DOI: 10.1039/C5CC07296D

Effects of the Aqueous Environment on the Stability and Chemistry of β-NiOOH Surfaces
journal, July 2018

Chromium-ruthenium oxide solid solution electrocatalyst for highly efficient oxygen evolution reaction in acidic media
journal, January 2019

Interface Controlled Oxidation States in Layered Cobalt Oxide Nanoislands on Gold
journal, February 2015

A universal principle for a rational design of single-atom electrocatalysts
journal, April 2018

Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis
journal, August 2012

  • Liao, Peilin; Keith, John A.; Carter, Emily A.
  • Journal of the American Chemical Society, Vol. 134, Issue 32
  • DOI: 10.1021/ja301567f

Atomic structure and lattice dynamics of Ni and Mg hydroxides
journal, December 2010

Relationship between non-stoichiometry and physical properties in LiNiO2
journal, May 1995

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
journal, March 2011

  • Man, Isabela C.; Su, Hai‐Yan; Calle‐Vallejo, Federico
  • ChemCatChem, Vol. 3, Issue 7
  • DOI: 10.1002/cctc.201000397

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

New insight in the behaviour of Co–H2O system at 25–150°C, based on revised Pourbaix diagrams
journal, January 2008

Electrolysis of water on oxide surfaces
journal, September 2007

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
journal, December 2017

Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes
journal, September 2017

Effect of transition-metal-ion dopants on the oxygen evolution reaction on NiOOH(0001)
journal, January 2018

  • Tkalych, Alexander J.; Martirez, John Mark P.; Carter, Emily A.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 29
  • DOI: 10.1039/C8CP02849D

Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries
journal, September 2015

  • Zhao, Zhenghang; Li, Mingtao; Zhang, Lipeng
  • Advanced Materials, Vol. 27, Issue 43
  • DOI: 10.1002/adma.201503211

Single-Atom Electrocatalysts
journal, October 2017

  • Zhu, Chengzhou; Fu, Shaofang; Shi, Qiurong
  • Angewandte Chemie International Edition, Vol. 56, Issue 45
  • DOI: 10.1002/anie.201703864

Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water
journal, August 2013

  • Bajdich, Michal; García-Mota, Mónica; Vojvodic, Aleksandra
  • Journal of the American Chemical Society, Vol. 135, Issue 36
  • DOI: 10.1021/ja405997s

Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides
journal, September 2012

  • García-Mota, Mónica; Bajdich, Michal; Viswanathan, Venkatasubramanian
  • The Journal of Physical Chemistry C, Vol. 116, Issue 39
  • DOI: 10.1021/jp306303y

A Density Functional + U Assessment of Oxygen Evolution Reaction Mechanisms on β-NiOOH
journal, July 2017

  • Tkalych, Alexander J.; Zhuang, Houlong L.; Carter, Emily A.
  • ACS Catalysis, Vol. 7, Issue 8
  • DOI: 10.1021/acscatal.7b00999

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Fuel Cells - Fundamentals and Applications
journal, May 2001

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997

Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

  • Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
  • Physical Review B, Vol. 44, Issue 3, p. 943-954
  • DOI: 10.1103/PhysRevB.44.943

Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial Photosynthesis
journal, December 2017

Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
journal, January 2015

  • Friebel, Daniel; Louie, Mary W.; Bajdich, Michal
  • Journal of the American Chemical Society, Vol. 137, Issue 3
  • DOI: 10.1021/ja511559d

Electron Transfer and Catalytic Mechanism of Organic Molecule-Adsorbed Graphene Nanoribbons as Efficient Catalysts for Oxygen Reduction and Evolution Reactions
journal, January 2016

  • Zhao, Zhenghang; Zhang, Lipeng; Xia, Zhenhai
  • The Journal of Physical Chemistry C, Vol. 120, Issue 4
  • DOI: 10.1021/acs.jpcc.5b09611

Identifying the Active Surfaces of Electrochemically Tuned LiCoO 2 for Oxygen Evolution Reaction
journal, April 2017

  • Lu, Zhiyi; Chen, Guangxu; Li, Yanbin
  • Journal of the American Chemical Society, Vol. 139, Issue 17
  • DOI: 10.1021/jacs.7b02622

Layered Double Hydroxide Nano- and Microstructures Grown Directly on Metal Substrates and Their Calcined Products for Application as Li-Ion Battery Electrodes
journal, April 2008

  • Liu, Jinping; Li, Yuanyuan; Huang, Xintang
  • Advanced Functional Materials, Vol. 18, Issue 9
  • DOI: 10.1002/adfm.200701383

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions
journal, January 2011

  • Calle-Vallejo, Federico; Martínez, José Ignacio; Rossmeisl, Jan
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 34
  • DOI: 10.1039/c1cp21228a

Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides
journal, January 2013

  • Calle-Vallejo, Federico; Inoglu, Nilay G.; Su, Hai-Yan
  • Chemical Science, Vol. 4, Issue 3
  • DOI: 10.1039/c2sc21601a

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
journal, November 2004

  • Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 46
  • DOI: 10.1021/jp047349j

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces
journal, July 2012

  • Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan
  • ACS Catalysis, Vol. 2, Issue 8
  • DOI: 10.1021/cs300227s

Towards the computational design of solid catalysts
journal, April 2009

  • Nørskov, J.; Bligaard, T.; Rossmeisl, J.
  • Nature Chemistry, Vol. 1, Issue 1, p. 37-46
  • DOI: 10.1038/nchem.121

Transition metal oxides. Crystal chemistry, phase transition and related aspects. NBS 49 by C. N. R. Rao and G. V. Subba Rao
journal, December 1975

  • Goodwin, D. W.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 31, Issue 12
  • DOI: 10.1107/S0567740875009399

journal, October 2017

  • Zhu, Chengzhou; Fu, Shaofang; Shi, Qiurong
  • Angewandte Chemie, Vol. 129, Issue 45
  • DOI: 10.1002/ange.201703864

Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017

Diffraction and Spectroscopic Studies of the Cobaltic Acid System HCoC 2 –DCoO 2
journal, March 1969

  • Delaplane, Robert G.; Ibers, James A.; Ferraro, John R.
  • The Journal of Chemical Physics, Vol. 50, Issue 5
  • DOI: 10.1063/1.1671307

Electrochemistry of Nanostructured Layered Transition-Metal Dichalcogenides
journal, October 2015