Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions

Duchoň, Tomáš; Hackl, Johanna; Mueller, David N.; Kullgren, Jolla; Du, Dou; Senanayake, Sanjaya D.; Mouls, Caroline; Gottlob, Daniel M.; Khan, Muhammad I.; Cramm, Stefan; Veltruská, Kateřina; Matolín, Vladimír; Nemšák, Slavomír; Schneider, Claus M.

doi:10.1039/C9TA11784A

Title: Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions

Abstract

Unraveling the thermodynamic origin of the structure–reducibility of cerium oxide (100) and (111) surface planes.

Authors:

^[1]; Hackl, Johanna ^[2];

^[2];

^[3]; Du, Dou ^[3];

^[4]; Mouls, Caroline ^[5]; Gottlob, Daniel M. ^[2]; Khan, Muhammad I. ^[2]; Cramm, Stefan ^[2]; Veltruská, Kateřina ^[6]; Matolín, Vladimír ^[6];

^[7]; Schneider, Claus M. ^[8]

Peter-Grünberg-Inst. (Germany); Charles Univ., Prague (Czech Republic)
Peter-Grünberg-Inst. (Germany)
Uppsala Univ. (Sweden)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Lab. Nacional de Luz Síncrotron (Brazil)
Charles Univ., Prague (Czech Republic)
Peter-Grünberg-Inst. (Germany); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Peter-Grünberg-Inst. (Germany) ; Univ. of California, Davis, CA (United States)

Publication Date:: Sat Feb 01 00:00:00 EST 2020

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1603285

Alternate Identifier(s):: OSTI ID: 1598714; OSTI ID: 1775374

Report Number(s):: BNL-213669-2020-JAAM
Journal ID: ISSN 2050-7488; JMCAET

Grant/Contract Number:: SC0012704; AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Materials Chemistry. A

Additional Journal Information:: Journal Volume: 8; Journal Issue: 11; Journal ID: ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY

Citation Formats


                    Duchoň, Tomáš, Hackl, Johanna, Mueller, David N., Kullgren, Jolla, Du, Dou, Senanayake, Sanjaya D., Mouls, Caroline, Gottlob, Daniel M., Khan, Muhammad I., Cramm, Stefan, Veltruská, Kateřina, Matolín, Vladimír, Nemšák, Slavomír, and Schneider, Claus M. Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions.  United States: N. p., 2020. 
Web.  doi:10.1039/C9TA11784A.

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                    Duchoň, Tomáš, Hackl, Johanna, Mueller, David N., Kullgren, Jolla, Du, Dou, Senanayake, Sanjaya D., Mouls, Caroline, Gottlob, Daniel M., Khan, Muhammad I., Cramm, Stefan, Veltruská, Kateřina, Matolín, Vladimír, Nemšák, Slavomír, & Schneider, Claus M. Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions.  United States.  https://doi.org/10.1039/C9TA11784A

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                    Duchoň, Tomáš, Hackl, Johanna, Mueller, David N., Kullgren, Jolla, Du, Dou, Senanayake, Sanjaya D., Mouls, Caroline, Gottlob, Daniel M., Khan, Muhammad I., Cramm, Stefan, Veltruská, Kateřina, Matolín, Vladimír, Nemšák, Slavomír, and Schneider, Claus M. Sat .  
"Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions".  United States.  https://doi.org/10.1039/C9TA11784A.  https://www.osti.gov/servlets/purl/1603285.

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@article{osti_1603285,

  title        = {Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions},

  author       = {Duchoň, Tomáš and Hackl, Johanna and Mueller, David N. and Kullgren, Jolla and Du, Dou and Senanayake, Sanjaya D. and Mouls, Caroline and Gottlob, Daniel M. and Khan, Muhammad I. and Cramm, Stefan and Veltruská, Kateřina and Matolín, Vladimír and Nemšák, Slavomír and Schneider, Claus M.},

  abstractNote = {Unraveling the thermodynamic origin of the structure–reducibility of cerium oxide (100) and (111) surface planes.},

  doi          = {10.1039/C9TA11784A},

  journal      = {Journal of Materials Chemistry. A},

  number       = 11,

  volume       = 8,

  place        = {United States},

  year         = {Sat Feb 01 00:00:00 EST 2020},

  month        = {Sat Feb 01 00:00:00 EST 2020}

}

Copy to clipboard

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https://doi.org/10.1039/C9TA11784A

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Title: Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions

Abstract

Citation Formats

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

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Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Catalysis by Doped Oxides
journal, December 2012

Spillover Reoxidation of Ceria Nanoparticles
journal, May 2016

Three-Dimensional Valency Mapping in Ceria Nanocrystals
journal, October 2014

Unusual Redox Behavior of Ceria and Its Interaction with Hydrogen
journal, August 2019

Reduction kinetics of ceria surface by hydrogen
journal, July 2004

Evidence of Subsurface Oxygen Vacancy Ordering on Reduced ${CeO}_{2} (111)$
journal, August 2007

Facet-dependent trapping and dynamics of excess electrons at anatase TiO2 surfaces and aqueous interfaces
journal, June 2016

Fast vacancy-mediated oxygen ion incorporation across the ceria–gas electrochemical interface
journal, July 2014

Structure sensitivity of catalytic reactions
journal, February 1986

Effect of Ceria Structure on Oxygen Migration for Rh/Ceria Catalysts
journal, January 1996

Electronic structure of nanoporous ceria from x-ray absorption spectroscopy and atomic multiplet calculations
journal, December 2007

Facet-dependent electrochemical properties of Co3O4 nanocrystals toward heavy metal ions
journal, October 2013

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

CeO ₂ ↔ CuO _x Interactions and the Controlled Assembly of CeO ₂ (111) and CeO ₂ (100) Nanoparticles on an Oxidized Cu(111) Substrate
journal, October 2011

Growth and characterization of epitaxially stabilized ceria(001) nanostructures on Ru(0001)
journal, January 2016

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Facet-Dependent and Light-Assisted Efficient Hydrogen Evolution from Ammonia Borane Using Gold-Palladium Core-Shell Nanocatalysts
journal, May 2016

Model Studies in Heterogeneous Catalysis
journal, July 2010

The surface science of titanium dioxide
journal, January 2003

Water Adsorption and Its Effect on the Stability of Low Index Stoichiometric and Reduced Surfaces of Ceria
journal, March 2012

The Synergy between Metal Facet and Oxide Support Facet for Enhanced Catalytic Performance: The Case of Pd–TiO ₂
journal, July 2016

Controlling Heteroepitaxy by Oxygen Chemical Potential: Exclusive Growth of (100) Oriented Ceria Nanostructures on Cu(111)
journal, January 2016

Single-Molecule Nanocatalysis Reveals Facet-Dependent Catalytic Kinetics and Dynamics of Pallidium Nanoparticles
journal, March 2017

Unraveling the Dynamic Nanoscale Reducibility (Ce ⁴⁺ → Ce ³⁺ ) of CeO _x -Ru in Hydrogen Activation
journal, September 2015

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

Entropic contributions enhance polarity compensation for CeO2(100) surfaces
journal, November 2016

Evidence for Subsurface Ordering of Oxygen Vacancies on the Reduced ${CeO}_{2} (111)$ Surface Using Density-Functional and Statistical Calculations
journal, June 2013

Oxidation of Reduced Ceria by Incorporation of Hydrogen
journal, September 2019

The surface chemistry of cerium oxide
journal, March 2015

Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced ${CeO}_{2} (111)$ Surface
journal, March 2019

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

The cubic-to-hexagonal phase transition of cerium oxide particles: dynamics and structure
journal, January 2017

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
journal, December 2012

In situ growth, structure, and real-time chemical reactivity of well-defined CeOx-Ru(0001) model surfaces
journal, November 2016

Faceted metal and metal oxide nanoparticles: design, fabrication and catalysis
journal, January 2015

Facet-dependent photovoltaic efficiency variations in single grains of hybrid halide perovskite
journal, July 2016

Determination of Ce4+/Ce3+ in electron-beam-damaged CeO2 by electron energy-loss spectroscopy
journal, December 1999

Opposite Face Sensitivity of CeO ₂ in Hydrogenation and Oxidation Catalysis
journal, August 2014

Ceria Nanocrystals Exposing Wide (100) Facets: Structure and Polarity Compensation
journal, November 2014

Calculation of electron inelastic mean free paths (IMFPs) VII. Reliability of the TPP-2M IMFP predictive equation
journal, January 2003

The probing depth of total electron yield in the sub-keV range: TEY-XAS and X-PEEM
journal, July 2003

On the growth mechanisms of polar (100) surfaces of ceria on copper (100)
journal, May 2018

Fundamentals and Catalytic Applications of CeO ₂ -Based Materials
journal, April 2016

X-ray absorption studies of ${CeO}_{2}$ , ${PrO}_{2}$ , and ${TbO}_{2}$ . I. Manifestation of localized and extended f states in the 3 d absorption spectra
journal, July 1987

Redox Kinetics Study of Fuel Reduced Ceria for Chemical-Looping Water Splitting
journal, July 2016

Surface controlled reduction kinetics of nominally undoped polycrystalline CeO ₂
journal, January 2015