skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution

Abstract

Surface structural transitions and active sites are identified using X-ray scattering and density functional theory.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [4];  [5];  [6];  [7]; ORCiD logo [8];  [3];  [9];  [10];  [11]; ORCiD logo [3]; ORCiD logo [4];  [4]; ORCiD logo [12]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
  2. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Research Lab. of Electronics
  3. Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Energy Conversion and Storage
  4. Technical Univ. of Denmark, Lyngby (Denmark). Section for Surface Physics and Catalysis, Dept. of Physics
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  6. Argonne National Lab. (ANL), Argonne, IL (United States)
  7. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  8. Oregon State Univ., Corvallis, OR (United States). School of Chemical, Biological, and Environmental Engineering
  9. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
  10. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering; Univ. di Milano-Bicocca (Italy). Dipartimento di Scienza dei Materiali
  11. Univ. of Copenhagen (Denmark). Dept. of Chemistry
  12. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Research Lab. of Electronics; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1419931
Alternate Identifier(s):
OSTI ID: 1433005
Grant/Contract Number:  
9455; AC02-06CH11357; AC02-76SF00515; ACI-1548562
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 10; Journal Issue: 12; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Rao, Reshma R., Kolb, Manuel J., Halck, Niels Bendtsen, Pedersen, Anders Filsoe, Mehta, Apurva, You, Hoydoo, Stoerzinger, Kelsey A., Feng, Zhenxing, Hansen, Heine A., Zhou, Hua, Giordano, Livia, Rossmeisl, Jan, Vegge, Tejs, Chorkendorff, Ib, Stephens, Ifan E. L., and Shao-Horn, Yang. Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution. United States: N. p., 2017. Web. doi:10.1039/c7ee02307c.
Rao, Reshma R., Kolb, Manuel J., Halck, Niels Bendtsen, Pedersen, Anders Filsoe, Mehta, Apurva, You, Hoydoo, Stoerzinger, Kelsey A., Feng, Zhenxing, Hansen, Heine A., Zhou, Hua, Giordano, Livia, Rossmeisl, Jan, Vegge, Tejs, Chorkendorff, Ib, Stephens, Ifan E. L., & Shao-Horn, Yang. Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution. United States. https://doi.org/10.1039/c7ee02307c
Rao, Reshma R., Kolb, Manuel J., Halck, Niels Bendtsen, Pedersen, Anders Filsoe, Mehta, Apurva, You, Hoydoo, Stoerzinger, Kelsey A., Feng, Zhenxing, Hansen, Heine A., Zhou, Hua, Giordano, Livia, Rossmeisl, Jan, Vegge, Tejs, Chorkendorff, Ib, Stephens, Ifan E. L., and Shao-Horn, Yang. 2017. "Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution". United States. https://doi.org/10.1039/c7ee02307c. https://www.osti.gov/servlets/purl/1419931.
@article{osti_1419931,
title = {Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution},
author = {Rao, Reshma R. and Kolb, Manuel J. and Halck, Niels Bendtsen and Pedersen, Anders Filsoe and Mehta, Apurva and You, Hoydoo and Stoerzinger, Kelsey A. and Feng, Zhenxing and Hansen, Heine A. and Zhou, Hua and Giordano, Livia and Rossmeisl, Jan and Vegge, Tejs and Chorkendorff, Ib and Stephens, Ifan E. L. and Shao-Horn, Yang},
abstractNote = {Surface structural transitions and active sites are identified using X-ray scattering and density functional theory.},
doi = {10.1039/c7ee02307c},
url = {https://www.osti.gov/biblio/1419931}, journal = {Energy & Environmental Science},
issn = {1754-5692},
number = 12,
volume = 10,
place = {United States},
year = {Fri Nov 17 00:00:00 EST 2017},
month = {Fri Nov 17 00:00:00 EST 2017}
}

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

Citation Metrics:
Cited by: 196 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996


Oxygen reduction on nanocrystalline ruthenia – local structure effects
journal, January 2015


Surface core-level shifts at an oxygen-rich Ru surface: O/Ru(0001) vs. RuO2(110)
journal, September 2001


Effect of a humid environment on the surface structure of RuO 2 ( 110 )
journal, May 2003


Projector augmented-wave method
journal, December 1994


Mineral–water interfacial structures revealed by synchrotron X-ray scattering
journal, January 2004


Electrochemical Capacitors Using Hydrous Ruthenium Oxide and Hydrogen Inserted Ruthenium Oxide
journal, January 1998


Structural motifs of water on metal oxide surfaces
journal, January 2017


Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO 2 (110) Model Electrode
journal, May 2016


Oxygen evolution on nanocrystalline RuO2 and Ru0.9Ni0.1O2−δ electrodes – DEMS approach to reaction mechanism determination
journal, October 2009


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


Oxygen evolution on well-characterized mass-selected Ru and RuO 2 nanoparticles
journal, January 2015


Surface x-ray-scattering measurements of the substrate-induced spatial modulation of an incommensurate adsorbed monolayer
journal, September 1990


Visualization of Atomic Processes on Ruthenium Dioxide using Scanning Tunneling Microscopy
journal, February 2004


Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting
journal, January 2014


Orientation-Dependent Oxygen Evolution Activities of Rutile IrO 2 and RuO 2
journal, April 2014


Electrochemical Interfaces of Porous Silicon and Ruthenium Dioxide
journal, January 1999


Functional Independent Scaling Relation for ORR/OER Catalysts
journal, October 2016


XSEDE: Accelerating Scientific Discovery
journal, September 2014


X-ray Crystal Truncation Rod Studies of Surface Oxidation and Reduction on Pt(111)
journal, March 2016


pH dependence of OER activity of oxides: Current and future perspectives
journal, March 2016


Solar Water Splitting Cells
journal, November 2010


Ab initiomolecular dynamics for liquid metals
journal, January 1993


In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+
journal, August 2008


Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework
journal, November 2008


Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds
journal, November 2010


Redox and electrochemical water splitting catalytic properties of hydrated metal oxide modified electrodes
journal, January 2013


Powering the planet with solar fuel
journal, April 2009


Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution
journal, January 2017


Interaction of H2O with the RuO2(110) surface studied by HREELS and TDS
journal, January 2003


Mechanism of oxygen reactions at porous oxide electrodes. Part 1.—Oxygen evolution at RuO2 and RuxSn1–xO2 electrodes in alkaline solution under vigorous electrolysis conditions
journal, January 1987

  • Lyons, Michael E. G.; Burke, Laurence D.
  • Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 83, Issue 2
  • https://doi.org/10.1039/f19878300299

Composition, structure, and stability of RuO 2 ( 110 ) as a function of oxygen pressure
journal, December 2001


How to Achieve Maximum Utilization of Hydrous Ruthenium Oxide for Supercapacitors
journal, January 2004


Effect of temperature annealing on capacitive and structural properties of hydrous ruthenium oxides
journal, October 2006


The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO 2 (110) Surface
journal, December 2016


Synthesis and Activities of Rutile IrO 2 and RuO 2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions
journal, January 2012


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


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


Electrolysis of water on oxide surfaces
journal, September 2007


The Role of Ru Redox in pH-Dependent Oxygen Evolution on Rutile Ruthenium Dioxide Surfaces
journal, May 2017


Orientation-Dependent Oxygen Evolution on RuO 2 without Lattice Exchange
journal, March 2017


Special points for Brillouin-zone integrations
journal, June 1976


Commensurate Water Monolayer at the RuO 2 ( 110 ) /Water Interface
journal, April 2001


Surface Chemistry of Late Transition Metal Oxides
journal, December 2012


Cathodic activation of RuO 2 single crystal surfaces for hydrogen-evolution reaction
journal, September 2003


Catalytic Oxidation of Ammonia on RuO 2 (110) Surfaces:  Mechanism and Selectivity
journal, April 2005


Characterization of Various Oxygen Species on an Oxide Surface:  RuO 2 (110)
journal, May 2001


Ruthenium dioxide-based film electrodes: III. Effect of chemical composition and surface morphology on oxygen evolution in acid solutions
journal, March 1978


Electrocatalytic Oxygen Evolution Reaction in Acidic Environments - Reaction Mechanisms and Catalysts
journal, October 2016


Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO 2 (110)
journal, August 2015


Surface X-ray diffraction studies of single crystal electrocatalysts
journal, November 2016


Voltage-Controlled Interfacial Layering in an Ionic Liquid on SrTiO 3
journal, March 2016


Spectroscopic characterization of catalytically active surface sites of a metallic oxide
journal, July 2001


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


Interaction of NO with the Stoichiometric RuO 2 (110) Surface
journal, December 2003


Electrocatalysis in the anodic evolution of oxygen and chlorine
journal, November 1984


A molecular ruthenium catalyst with water-oxidation activity comparable to that of photosystem II
journal, March 2012


Oxygen evolution on Ru and RuO2 electrodes studied using isotope labelling and on-line mass spectrometry
journal, November 1987


Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO 2 (110)
journal, February 2017


Stable Deacon Process for HCl Oxidation over RuO2
journal, February 2008


Electrochemical and X-ray scattering study of well defined RuO2 single crystal surfaces
journal, May 2002


Stable Deacon Process for HCl Oxidation over RuO2
journal, February 2008


Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO 2 (110) Model Electrode
journal, May 2016


Key role of chemistry versus bias in electrocatalytic oxygen evolution
journal, November 2020


High-resolution X-ray luminescence extension imaging
journal, February 2021


Commensurate Water Monolayer at the RuO2(110)/Water Interface
text, January 2001


Voltage Controlled Interfacial Layering in an Ionic Liquid on SrTiO$_3$
text, January 2016


Works referencing / citing this record:

Oxygen Evolution Reaction on 2D Ferromagnetic Fe 3 GeTe 2 : Boosting the Reactivity by the Self‐Reduction of Surface Hydroxyl
journal, August 2019


Hollow‐Structured Metal Oxides as Oxygen‐Related Catalysts
journal, July 2018


Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium
journal, February 2019


Design of Multi‐Metallic‐Based Electrocatalysts for Enhanced Water Oxidation
journal, May 2019


In situ construction of hierarchical graphitic carbon nitride homojunction as robust bifunctional photoelectrocatalyst for overall water splitting
journal, November 2019


Layered and two dimensional metal oxides for electrochemical energy conversion
journal, January 2019


An essential descriptor for the oxygen evolution reaction on reducible metal oxide surfaces
journal, January 2019


Recent advances in layered double hydroxide electrocatalysts for the oxygen evolution reaction
journal, January 2019


Mg-Doping improves the performance of Ru-based electrocatalysts for the acidic oxygen evolution reaction
journal, January 2020


2D oxides on metal materials: concepts, status, and perspectives
journal, January 2019


Optimization of oxygen evolution dynamics on RuO 2 via controlling of spontaneous dissociation equilibrium
journal, January 2019


Non-redox doping boosts oxygen evolution electrocatalysis on hematite
journal, January 2020


A template-directed bifunctional NiS x /nitrogen-doped mesoporous carbon electrocatalyst for rechargeable Zn–air batteries
journal, January 2019


Chlorine evolution reaction electrocatalysis on RuO 2 (110) and IrO 2 (110) grown using molecular-beam epitaxy
journal, January 2019


Short O–O separation in layered oxide Na 0.67 CoO 2 enables an ultrafast oxygen evolution reaction
journal, November 2019