Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology

Hemmingson, Stephanie L.; Campbell, Charles T.

doi:10.1021/acsnano.6b07502

Title: Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology

Abstract

Nanoparticles on surfaces are ubiquitous in nanotechnologies, especially in catalysis, where metal nanoparticles anchored to oxide supports are widely used to produce and use fuels and chemicals, and in pollution abatement. Here we show that for hemispherical metal particles of the same diameter, D, the chemical potentials of the metal atoms in the particles (μ_M) differ between two supports by approximately –2(E_adh,A – E_adh,B)V_m/D, where E_ad,i is the adhesion energy between the metal and support i, and V_m is the molar volume of the bulk metal. This is consistent with calorimetric measurements of metal vapor adsorption energies onto clean oxide surfaces where the metal grows as 3D particles, which proved that μ_M increases with decreasing particle size below 6 nm and, for a given size, decreases with E_adh. Since catalytic activity and sintering rates correlate with metal chemical potential, it is thus crucial to understand what properties of catalyst materials control metal/oxide adhesion energies. Trends in how E_adh varies with the metal and the support oxide are presented. For a given oxide, E_adh increases linearly from metal to metal with increasing heat of formation of the most stable oxide of the metal (per mole metal), or metal oxophilicity, suggesting thatmore »« less

Authors:

Hemmingson, Stephanie L. ^[1];

^[1]

Univ. of Washington, Seattle, WA (United States). Dept. of Chemistry

Publication Date:: Tue Dec 06 00:00:00 EST 2016

Research Org.:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

OSTI Identifier:: 1534920

Grant/Contract Number:: FG02-96ER14630

Resource Type:: Accepted Manuscript

Journal Name:: ACS Nano

Additional Journal Information:: Journal Volume: 11; Journal Issue: 2; Journal ID: ISSN 1936-0851

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Science & Technology - Other Topics; Materials Science; nanoparticles; adhesion energy; catalyst support; metal catalyst; sintering; oxide surface; gold on MgO(100)

Citation Formats


                    Hemmingson, Stephanie L., and Campbell, Charles T. Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology.  United States: N. p., 2016. 
Web.  doi:10.1021/acsnano.6b07502.

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                    Hemmingson, Stephanie L., & Campbell, Charles T. Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology.  United States.  https://doi.org/10.1021/acsnano.6b07502

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                    Hemmingson, Stephanie L., and Campbell, Charles T. Tue .  
"Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology".  United States.  https://doi.org/10.1021/acsnano.6b07502.  https://www.osti.gov/servlets/purl/1534920.

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@article{osti_1534920,

  title        = {Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology},

  author       = {Hemmingson, Stephanie L. and Campbell, Charles T.},

  abstractNote = {Nanoparticles on surfaces are ubiquitous in nanotechnologies, especially in catalysis, where metal nanoparticles anchored to oxide supports are widely used to produce and use fuels and chemicals, and in pollution abatement. Here we show that for hemispherical metal particles of the same diameter, D, the chemical potentials of the metal atoms in the particles (μM) differ between two supports by approximately –2(Eadh,A – Eadh,B)Vm/D, where Ead,i is the adhesion energy between the metal and support i, and Vm is the molar volume of the bulk metal. This is consistent with calorimetric measurements of metal vapor adsorption energies onto clean oxide surfaces where the metal grows as 3D particles, which proved that μM increases with decreasing particle size below 6 nm and, for a given size, decreases with Eadh. Since catalytic activity and sintering rates correlate with metal chemical potential, it is thus crucial to understand what properties of catalyst materials control metal/oxide adhesion energies. Trends in how Eadh varies with the metal and the support oxide are presented. For a given oxide, Eadh increases linearly from metal to metal with increasing heat of formation of the most stable oxide of the metal (per mole metal), or metal oxophilicity, suggesting that metal–oxygen bonds dominate interfacial bonding. For the two different stoichiometric oxide surfaces that have been studied on multiple metals (MgO(100) and CeO2(111), the slopes of these lines are the same, but their offset is large ( ~2 J/m2). Adhesion energies increase as MgO(100) ≈ TiO2(110) < α-Al2O3(0001) < CeO2(111) ≈ Fe3O4(111).},

  doi          = {10.1021/acsnano.6b07502},

  journal      = {ACS Nano},

  number       = 2,

  volume       = 11,

  place        = {United States},

  year         = {Tue Dec 06 00:00:00 EST 2016},

  month        = {Tue Dec 06 00:00:00 EST 2016}

}

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Title: Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology

Abstract

Citation Formats

Model Studies in Catalysis Using Surface Science Probes journal, May 1995

Structural and Catalytic Properties of Model Supported Nickel Catalysts journal, January 1994

Clusters as new materials journal, March 2002

Particle size effect in the hydrogenation of acetylene under industrial conditions journal, October 1986

Hydrogenolysis of n-butane over the (111) and (110)-(1.times.2) surfaces of iridium: a direct correlation between catalytic selectivity and surface structure journal, July 1986

Surface Science Approach to Modeling Supported Catalysts journal, February 1997

Catalysis of Gold Nanoparticles Deposited on Metal Oxides journal, January 2002

Size- and support-dependency in the catalysis of gold journal, April 1997

A systematic study of the synthesis conditions for the preparation of highly active gold catalysts journal, March 2002

Growth of Pd particles in methanol synthesis over Pd/CeO2 journal, January 2001

Low-Temperature Methanol Synthesis Catalyzed over Ultrafine Palladium Particles Supported on Cerium Oxide journal, January 2001

On the Relation between Particle Morphology, Structure of the Metal-Support Interface, and Catalytic Properties of Pt/γ-Al2O3 journal, October 1996

Activation of Gold on Titania: Adsorption and Reaction of SO 2 on Au/TiO 2 (110) journal, May 2002

Combinatorial Electrochemical Screening of Fuel Cell Electrocatalysts journal, January 2004

CO Oxidation on Gold in Acidic Environments: Particle Size and Substrate Effects journal, November 2007

The influence of support and particle size on the platinum catalysed oxygen reduction reaction journal, January 2009

Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties journal, September 1998

Structure sensitivity of CO oxidation over model Au/TiO2 2 catalysts journal, January 1998

Low-Temperature Cluster Catalysis journal, March 2004

Acetylene polymerization on supported transition metal clusters journal, May 2003

CO Oxidation on Au n /TiO 2 Catalysts Produced by Size-Selected Cluster Deposition journal, May 2004

Water-gas-shift reaction on metal nanoparticles and surfaces journal, April 2007

Water Gas Shift Reaction on Cu and Au Nanoparticles Supported on CeO2(111) and ZnO(000): Intrinsic Activity and Importance of Support Interactions journal, February 2007

Gold supported on well-ordered ceria films: nucleation, growth and morphology in CO oxidation reaction journal, February 2007

Water-gas shift activity of Cu surfaces and Cu nanoparticles supported on metal oxides journal, May 2009

Fundamental aspects of catalysis on supported metal clusters journal, January 2004

Study of the origin of the deactivation of a Pt/CeO catalyst during reverse water gas shift (RWGS) reaction journal, September 2004

On the importance of steady-state isotopic techniques for the investigation of the mechanism of the reverse water-gas-shift reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b4/b403438d/ journal, January 2004

Renewable Hydrogen from Ethanol by Autothermal Reforming journal, February 2004

Low-temperature water-gas shift reaction over Au/CeO2 catalysts journal, February 2002

Selective catalytic oxidation of CO in H2: structural study of Fe oxide-promoted Pt/alumina catalyst journal, March 2002

Nanostructured Cerium Oxide “Ecocatalysts” journal, November 2001

A comparative study of water-gas-shift reaction over ceria supported metallic catalysts journal, July 2001

Studies of the water-gas-shift reaction on ceria-supported Pt, Pd, and Rh: Implications for oxygen-storage properties journal, January 1998

Synthesis of supported palladium catalysts journal, September 2001

Fe/N/C non-precious catalysts for PEM fuel cells: Influence of the structural parameters of pristine commercial carbon blacks on their activity for oxygen reduction journal, February 2008

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2(110) catalysts journal, March 2010

Water-Gas Shift Reaction on a Highly Active Inverse CeO x /Cu(111) Catalyst: Unique Role of Ceria Nanoparticles journal, October 2009

Gold nanoparticles on ceria: importance of O vacancies in the activation of gold journal, June 2007

The Role of F-Centers in Catalysis by Au Supported on MgO journal, February 2005

Adsorption of gold on stoichiometric and reduced rutile TiO2 (110) surfaces journal, April 2003

Bonding of Gold Nanoclusters to Oxygen Vacancies on Rutile T i O 2 ( 110 ) journal, January 2003

When Gold Is Not Noble: Nanoscale Gold Catalysts journal, December 1999

Metal Particle Size and Structure of the Metal−Support Interface of Carbon-Supported Platinum Catalysts as Determined with EXAFS Spectroscopy journal, December 2004

Anchored metal nanoparticles: Effects of support and size on their energy, sintering resistance and reactivity journal, January 2013

The Energetics of Supported Metal Nanoparticles: Relationships to Sintering Rates and Catalytic Activity journal, April 2013

Ceria Maintains Smaller Metal Catalyst Particles by Strong Metal-Support Bonding journal, August 2010

The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering journal, October 2002

Kinetic model for sintering of supported metal particles with improved size-dependent energetics and applications to Au on TiO 2 ( 110 ) journal, January 2007

Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements journal, December 2012

The surface energy of metals journal, August 1998

Microcalorimetric measurements of the heat of adsorption of Pb on well-defined oxides: MgO(100) and p (2×1)-oxide on Mo(100) journal, February 2001

Silver Nanoparticles on Fe 3 O 4 (111): Energetics by Ag Adsorption Calorimetry and Structure by Surface Spectroscopies journal, November 2013

Dynamic observations of Au catalysts by environmental electron microscopy journal, June 2008

Adsorption and Adhesion of Au on Reduced CeO 2 (111) Surfaces at 300 and 100 K journal, May 2016

Shape variations of Pd particles under oxygen adsorption journal, November 1998

Quantitative analysis of grazing incidence small-angle x-ray scattering: Pd/MgO(001) growth journal, January 2004

A microcalorimetric study of the heat of adsorption of copper on well-defined oxide thin film surfaces: MgO(100), p(2×1) oxide on Mo(100) and disordered W oxide journal, January 1999

Energetics of Cu Adsorption and Adhesion onto Reduced CeO 2 (111) Surfaces by Calorimetry journal, July 2015

Morphology, Dispersion, and Stability of Cu Nanoclusters on Clean and Hydroxylated α-Al 2 O 3 (0001) Substrates journal, October 2008

Size- and temperature-dependent epitaxy for a strong film-substrate mismatch: The case of Pt ∕ Mg O ( 001 ) journal, August 2007

Small Pd Clusters, up to the Tetramer At Least, Are Highly Mobile on the MgO(100) Surface journal, September 2005

Ultrathin metal films and particles on oxide surfaces: structural, electronic and chemisorptive properties journal, January 1997

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Adsorption of the first row of transition metals on the perfect and defective MgO(100) surface journal, September 2008

Adsorption of Late Transition Metal Atoms on MgO/Mo(100) and MgO/Ag(100) Ultrathin Films: A Comparative DFT Study journal, September 2009

High Water−Gas Shift Activity in TiO 2 (110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size journal, April 2009

Charge Transfer Stabilization of Late Transition Metal Oxide Nanoparticles on a Layered Niobate Support journal, December 2015

Energetics of metal/ceramic interfaces, metal-semiconductor Schottky contacts, and their relationship journal, February 1997

Wetting and Interfacial Bonding of Metals with Ionocovalent Oxides journal, November 1992

Theoretical study of bulk and surface oxygen and aluminum vacancies in α − Al 2 O 3 journal, February 2004

Calculation of TiO 2 Surface and Subsurface Oxygen Vacancy by the Screened Exchange Functional journal, July 2015

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

Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100) journal, July 2013

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe 3 O 4 journal, January 2014

Influence of Particle Size Distribution on Lifetime and Thermal Stability of Ostwald Ripening of Supported Particles journal, May 2018

Quick-start guide for first-principles modelling of semiconductor interfaces journal, November 2018

Model Studies in Catalysis Using Surface Science Probes
journal, May 1995

Structural and Catalytic Properties of Model Supported Nickel Catalysts
journal, January 1994

Clusters as new materials
journal, March 2002

Particle size effect in the hydrogenation of acetylene under industrial conditions
journal, October 1986

Hydrogenolysis of n-butane over the (111) and (110)-(1.times.2) surfaces of iridium: a direct correlation between catalytic selectivity and surface structure
journal, July 1986

Surface Science Approach to Modeling Supported Catalysts
journal, February 1997

Catalysis of Gold Nanoparticles Deposited on Metal Oxides
journal, January 2002

Size- and support-dependency in the catalysis of gold
journal, April 1997

A systematic study of the synthesis conditions for the preparation of highly active gold catalysts
journal, March 2002

Growth of Pd particles in methanol synthesis over Pd/CeO2
journal, January 2001

Low-Temperature Methanol Synthesis Catalyzed over Ultrafine Palladium Particles Supported on Cerium Oxide
journal, January 2001

On the Relation between Particle Morphology, Structure of the Metal-Support Interface, and Catalytic Properties of Pt/γ-Al2O3
journal, October 1996

Activation of Gold on Titania: Adsorption and Reaction of SO ₂ on Au/TiO ₂ (110)
journal, May 2002

Combinatorial Electrochemical Screening of Fuel Cell Electrocatalysts
journal, January 2004

CO Oxidation on Gold in Acidic Environments: Particle Size and Substrate Effects
journal, November 2007

The influence of support and particle size on the platinum catalysed oxygen reduction reaction
journal, January 2009

Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties
journal, September 1998

Structure sensitivity of CO oxidation over model Au/TiO₂ ₂ catalysts
journal, January 1998

Low-Temperature Cluster Catalysis
journal, March 2004

Acetylene polymerization on supported transition metal clusters
journal, May 2003

CO Oxidation on Au _n /TiO ₂ Catalysts Produced by Size-Selected Cluster Deposition
journal, May 2004

Water-gas-shift reaction on metal nanoparticles and surfaces
journal, April 2007

Water Gas Shift Reaction on Cu and Au Nanoparticles Supported on CeO2(111) and ZnO(000): Intrinsic Activity and Importance of Support Interactions
journal, February 2007

Gold supported on well-ordered ceria films: nucleation, growth and morphology in CO oxidation reaction
journal, February 2007

Water-gas shift activity of Cu surfaces and Cu nanoparticles supported on metal oxides
journal, May 2009

Fundamental aspects of catalysis on supported metal clusters
journal, January 2004

Study of the origin of the deactivation of a Pt/CeO catalyst during reverse water gas shift (RWGS) reaction
journal, September 2004

On the importance of steady-state isotopic techniques for the investigation of the mechanism of the reverse water-gas-shift reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b4/b403438d/
journal, January 2004

Renewable Hydrogen from Ethanol by Autothermal Reforming
journal, February 2004

Low-temperature water-gas shift reaction over Au/CeO2 catalysts
journal, February 2002

Selective catalytic oxidation of CO in H2: structural study of Fe oxide-promoted Pt/alumina catalyst
journal, March 2002

Nanostructured Cerium Oxide “Ecocatalysts”
journal, November 2001

A comparative study of water-gas-shift reaction over ceria supported metallic catalysts
journal, July 2001

Studies of the water-gas-shift reaction on ceria-supported Pt, Pd, and Rh: Implications for oxygen-storage properties
journal, January 1998

Synthesis of supported palladium catalysts
journal, September 2001

Fe/N/C non-precious catalysts for PEM fuel cells: Influence of the structural parameters of pristine commercial carbon blacks on their activity for oxygen reduction
journal, February 2008

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2(110) catalysts
journal, March 2010

Water-Gas Shift Reaction on a Highly Active Inverse CeO x /Cu(111) Catalyst: Unique Role of Ceria Nanoparticles
journal, October 2009

Gold nanoparticles on ceria: importance of O vacancies in the activation of gold
journal, June 2007

The Role of F-Centers in Catalysis by Au Supported on MgO
journal, February 2005

Adsorption of gold on stoichiometric and reduced rutile TiO2 (110) surfaces
journal, April 2003

Bonding of Gold Nanoclusters to Oxygen Vacancies on Rutile $T i O_{2} (110)$
journal, January 2003

When Gold Is Not Noble: Nanoscale Gold Catalysts
journal, December 1999

Metal Particle Size and Structure of the Metal−Support Interface of Carbon-Supported Platinum Catalysts as Determined with EXAFS Spectroscopy
journal, December 2004

Anchored metal nanoparticles: Effects of support and size on their energy, sintering resistance and reactivity
journal, January 2013

The Energetics of Supported Metal Nanoparticles: Relationships to Sintering Rates and Catalytic Activity
journal, April 2013

Ceria Maintains Smaller Metal Catalyst Particles by Strong Metal-Support Bonding
journal, August 2010

The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering
journal, October 2002

Kinetic model for sintering of supported metal particles with improved size-dependent energetics and applications to Au on ${TiO}_{2} (110)$
journal, January 2007

Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements
journal, December 2012

The surface energy of metals
journal, August 1998

Microcalorimetric measurements of the heat of adsorption of Pb on well-defined oxides: MgO(100) and p (2×1)-oxide on Mo(100)
journal, February 2001

Silver Nanoparticles on Fe ₃ O ₄ (111): Energetics by Ag Adsorption Calorimetry and Structure by Surface Spectroscopies
journal, November 2013

Dynamic observations of Au catalysts by environmental electron microscopy
journal, June 2008

Adsorption and Adhesion of Au on Reduced CeO ₂ (111) Surfaces at 300 and 100 K
journal, May 2016

Shape variations of Pd particles under oxygen adsorption
journal, November 1998

Quantitative analysis of grazing incidence small-angle x-ray scattering: Pd/MgO(001) growth
journal, January 2004

A microcalorimetric study of the heat of adsorption of copper on well-defined oxide thin film surfaces: MgO(100), p(2×1) oxide on Mo(100) and disordered W oxide
journal, January 1999

Energetics of Cu Adsorption and Adhesion onto Reduced CeO ₂ (111) Surfaces by Calorimetry
journal, July 2015

Morphology, Dispersion, and Stability of Cu Nanoclusters on Clean and Hydroxylated α-Al ₂ O ₃ (0001) Substrates
journal, October 2008

Size- and temperature-dependent epitaxy for a strong film-substrate mismatch: The case of $Pt ∕ Mg O (001)$
journal, August 2007

Small Pd Clusters, up to the Tetramer At Least, Are Highly Mobile on the MgO(100) Surface
journal, September 2005

Ultrathin metal films and particles on oxide surfaces: structural, electronic and chemisorptive properties
journal, January 1997

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO ₂ (111) Surface
journal, January 2010

Adsorption of the first row of transition metals on the perfect and defective MgO(100) surface
journal, September 2008

Adsorption of Late Transition Metal Atoms on MgO/Mo(100) and MgO/Ag(100) Ultrathin Films: A Comparative DFT Study
journal, September 2009

High Water−Gas Shift Activity in TiO ₂ (110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size
journal, April 2009

Charge Transfer Stabilization of Late Transition Metal Oxide Nanoparticles on a Layered Niobate Support
journal, December 2015

Energetics of metal/ceramic interfaces, metal-semiconductor Schottky contacts, and their relationship
journal, February 1997

Wetting and Interfacial Bonding of Metals with Ionocovalent Oxides
journal, November 1992

Theoretical study of bulk and surface oxygen and aluminum vacancies in $α - {Al}_{2} O_{3}$
journal, February 2004

Calculation of TiO ₂ Surface and Subsurface Oxygen Vacancy by the Screened Exchange Functional
journal, July 2015

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

Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100)
journal, July 2013

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe ₃ O ₄
journal, January 2014

Influence of Particle Size Distribution on Lifetime and Thermal Stability of Ostwald Ripening of Supported Particles
journal, May 2018

Quick-start guide for first-principles modelling of semiconductor interfaces
journal, November 2018

Interplay between the metal-support interaction and stability in Pt/Co ₃ O ₄ (111) model catalysts
journal, January 2018

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights
journal, March 2020

Predicting metal–metal interactions. I. The influence of strain on nanoparticle and metal adlayer stabilities
journal, March 2020