Adsorption of ethane, ethene, and ethyne on reconstructed Fe3O4(001)

Lee, Christopher J.; Sharp, Marcus; Smith, Ronald S.; Kay, Bruce D.; Dohnalek, Zdenek

doi:10.1016/j.susc.2021.121932

Title: Adsorption of ethane, ethene, and ethyne on reconstructed Fe₃O₄(001)

Abstract

The adsorption of the C2 hydrocarbons including ethane, ethene, and ethyne are studied on magnetite Fe₃O₄(001) by a combination of molecular beam dosing, temperature programmed desorption, and X-ray photoelectron spectroscopy. The ethane desorption profile has a single temperature invariant peak at 100 K while ethene and ethyne exhibit additional peaks at ~120 K and ~135 K. An inversion analysis is used to extract coverage dependent desorption energies as well as coverage-averaged prefactors for each molecule. Ethene and ethyne exhibit moderate coverage dependent desorption energies decreasing from ~80 to ~30 kJ/mol at saturation while ethane shows a relatively coverage invariant desorption energy ~28 kJ/mol. The desorption energies of the C2 hydrocarbons increase in order of increasing bond order. This is likely due to the enhanced interaction of the ethene and ethyne p system to the coordinatively unsaturated octahedral Fe sites (Fe_oct) on the ¬oxide surface. The saturation coverages of each C2 hydrocarbon at 82 K were also determined. Furthermore, these match well with the 2-dimensional spacing determined from their liquid densities.

Authors:

Lee, Christopher J. ^[1]; Sharp, Marcus ^[2];

^[1];

^[2]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Institute for Integrated Catalysis
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Institute for Integrated Catalysis; Washington State Univ., Pullman, WA (United States)

Publication Date:: Sun Aug 29 00:00:00 EDT 2021

Research Org.:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1836239

Alternate Identifier(s):: OSTI ID: 1894409

Report Number(s):: PNNL-SA-161889
Journal ID: ISSN 0039-6028

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Surface Science

Additional Journal Information:: Journal Volume: 714; Journal ID: ISSN 0039-6028

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

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

Citation Formats


                    Lee, Christopher J., Sharp, Marcus, Smith, Ronald S., Kay, Bruce D., and Dohnalek, Zdenek. Adsorption of ethane, ethene, and ethyne on reconstructed Fe3O4(001).  United States: N. p., 2021. 
Web.  doi:10.1016/j.susc.2021.121932.

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                    Lee, Christopher J., Sharp, Marcus, Smith, Ronald S., Kay, Bruce D., & Dohnalek, Zdenek. Adsorption of ethane, ethene, and ethyne on reconstructed Fe3O4(001).  United States.  https://doi.org/10.1016/j.susc.2021.121932

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                    Lee, Christopher J., Sharp, Marcus, Smith, Ronald S., Kay, Bruce D., and Dohnalek, Zdenek. Sun .  
"Adsorption of ethane, ethene, and ethyne on reconstructed Fe3O4(001)".  United States.  https://doi.org/10.1016/j.susc.2021.121932.  https://www.osti.gov/servlets/purl/1836239.

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@article{osti_1836239,

  title        = {Adsorption of ethane, ethene, and ethyne on reconstructed Fe3O4(001)},

  author       = {Lee, Christopher J. and Sharp, Marcus and Smith, Ronald S. and Kay, Bruce D. and Dohnalek, Zdenek},

  abstractNote = {The adsorption of the C2 hydrocarbons including ethane, ethene, and ethyne are studied on magnetite Fe3O4(001) by a combination of molecular beam dosing, temperature programmed desorption, and X-ray photoelectron spectroscopy. The ethane desorption profile has a single temperature invariant peak at 100 K while ethene and ethyne exhibit additional peaks at ~120 K and ~135 K. An inversion analysis is used to extract coverage dependent desorption energies as well as coverage-averaged prefactors for each molecule. Ethene and ethyne exhibit moderate coverage dependent desorption energies decreasing from ~80 to ~30 kJ/mol at saturation while ethane shows a relatively coverage invariant desorption energy ~28 kJ/mol. The desorption energies of the C2 hydrocarbons increase in order of increasing bond order. This is likely due to the enhanced interaction of the ethene and ethyne p system to the coordinatively unsaturated octahedral Fe sites (Feoct) on the ¬oxide surface. The saturation coverages of each C2 hydrocarbon at 82 K were also determined. Furthermore, these match well with the 2-dimensional spacing determined from their liquid densities.},

  doi          = {10.1016/j.susc.2021.121932},

  journal      = {Surface Science},

  number       = ,

  volume       = 714,

  place        = {United States},

  year         = {Sun Aug 29 00:00:00 EDT 2021},

  month        = {Sun Aug 29 00:00:00 EDT 2021}

}

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Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite journal, June 2014

Facile Dehydrogenation of Ethane on the IrO 2 (110) Surface journal, February 2018

Quantification of the selective activation of C–H bonds in short chain alkanes: The reactivity of ethane, propane, isobutane, n ‐butane, and neopentane on Ir(111) journal, October 1995

Adsorption of alkanes on stoichiometric and oxygen-rich RuO 2 (110) journal, January 2016

Effects of conformational isomerism on the desorption kinetics of n -alkanes from graphite journal, October 2001

Molecular adsorption and growth of n-butane adlayers on Pt(111) journal, January 2001

The interaction of ethane, propane, isobutane, and neopentane with the (110) surface of iridium journal, March 1982

Surface diffusion of n ‐alkanes on Ru(001) journal, April 1990

Physisorption of CO on the MgO(100) Surface † journal, May 2001

Geometric structure and chemical bonding of acetylene adsorbed on Cu(110) journal, September 2004

Desorption Kinetics and Adlayer Sticking Model of n-Butane, n-Hexane, and n-Octane on Al2O3(0001) journal, February 1995

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides journal, August 2014

Adsorption and Oxidation of n -Butane on the Stoichiometric RuO 2 (110) Surface journal, April 2016

Low-temperature activation of methane on the IrO 2 (110) surface journal, April 2017

The Iron Oxides Strike Back: From Biomedical Applications to Energy Storage Devices and Photoelectrochemical Water Splitting journal, July 2011

Energetics and Kinetics of the Physisorption of Hydrocarbons on Au(111) journal, October 1998

Facile C−H Bond Cleavage and Deep Oxidation of Propane on a PdO(101) Thin Film journal, May 2009

Water Gas Shift Catalysis journal, September 2009

Adsorption of Formic Acid on the Fe 3 O 4 (001) Surface journal, August 2015

Low-Temperature Oxidation of Methanol to Formaldehyde on a Model Single-Atom Catalyst: Pd Atoms on Fe 3 O 4 (001) journal, October 2019

An Atomic-Scale View of CO and H 2 Oxidation on a Pt/Fe 3 O 4 Model Catalyst journal, September 2015

Adsorption and Oxidation of Ethylene on the Stoichiometric and O-Rich RuO 2 (110) Surfaces journal, September 2017

Structural Models and Thermal Desorption Energetics for Multilayer Assemblies of the n -Alkanes on Pt(111) journal, January 2000

Physisorption of N 2 , O 2 , and CO on Fully Oxidized TiO 2 (110) journal, March 2006

Adsorption Dynamics and Desorption Kinetics of Argon and Methane on MgO(100) † journal, August 2002

Kinetics and Energetics of Oligomer Desorption from Surfaces journal, May 2001

High Selectivity for Primary C–H Bond Cleavage of Propane σ-Complexes on the PdO(101) Surface journal, October 2011

The Role of Surface Defects in the Adsorption of Methanol on Fe3O4(001) journal, September 2016

CO 2 Adsorption on Magnetite Fe 3 O 4 (111) journal, November 2018

Molecular adsorption of small alkanes on a PdO(101) thin film: Evidence of σ-complex formation journal, January 2010

Adsorption of small hydrocarbons on rutile TiO2(110) journal, August 2016

The adsorption and reaction of low molecular weight alkanes on metallic single crystal surfaces journal, June 2003

Surface Chemistry of Late Transition Metal Oxides journal, December 2012

Adsorption and reaction of methanol on Fe 3 O 4 (001) journal, February 2020

A metastable Fe(A) termination at the Fe3O4(001) surface journal, August 2011

Understanding Heterolytic H 2 Cleavage and Water-Assisted Hydrogen Spillover on Fe 3 O 4 (001)-Supported Single Palladium Atoms journal, July 2019

Iron oxide surfaces journal, March 2016

Acetylene Coupling on Cu(111): Formation of Butadiene, Benzene, and Cyclooctatetraene journal, June 2005

n-alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane journal, April 2005

NEXAFS and TPD studies of molecular adsorption of hydrocarbons on Cu(100): segmental correlations with the heats of adsorption journal, January 1998

Ethylene on Cu( 110 ) and Ni( 110 ): electronic structure and bonding derived from X-ray spectroscopy and theory journal, June 2004

Understanding the Binding of Aromatic Hydrocarbons on Rutile TiO 2 (110) journal, June 2019

A multi-technique study of CO 2 adsorption on Fe 3 O 4 magnetite journal, January 2017

Subsurface cation vacancy stabilization of the magnetite (001) surface journal, December 2014

Adsorption and incorporation of transition metals at the magnetite Fe 3 O 4 (001) surface journal, August 2015

Water agglomerates on Fe 3 O 4 (001) journal, June 2018

Adsorption and Cyclotrimerization Kinetics of C 2 H 2 at a Cu(110) Surface journal, April 2012

Water Ordering on the Magnetite Fe 3 O 4 Surfaces journal, April 2019

Alkane activation on crystalline metal oxide surfaces journal, January 2014

Adsorption of ethylene on stoichiometric RuO2(110) journal, September 2004

The reaction of saturated and unsaturated hydrocarbons with the (110)‐(1×2) and (111) surfaces of iridium journal, January 1984

Ordered Array of Single Adatoms with Remarkable Thermal Stability: Au / Fe 3 O 4 ( 001 ) journal, May 2012

Title: Adsorption of ethane, ethene, and ethyne on reconstructed Fe₃O₄(001)

Local Structure and Coordination Define Adsorption in a Model Ir ₁ /Fe ₃ O ₄ Single‐Atom Catalyst
journal, September 2019

Water adsorption on the Fe 3 O 4 (111) surface: dissociation and network formation
journal, January 2018

Propene Adsorption on Clean and Oxygen-Covered Au(111) and Au(100) Surfaces
journal, September 2000

Fischer-Tropsch synthesis over reduced and unreduced iron oxide catalysts
journal, January 1986

Determination of the bonding and orientation of ethylene on palladium(111) by near-edge x-ray absorption fine structure and photoelectron spectroscopy
journal, May 1990

Adsorbate-induced structural evolution changes the mechanism of CO oxidation on a Rh/Fe ₃ O ₄ (001) model catalyst
journal, January 2020

Pathways and kinetics of methane and ethane C–H bond cleavage on PdO(101)
journal, September 2013

Single-Atom Alloy Catalysis
journal, June 2020

Molecular beam investigation of adsorption kinetics on bulk metal targets: Nitrogen on tungsten
journal, February 1972

n-alkanes on Pt(111) and on C(0001)∕Pt(111): Chain length dependence of kinetic desorption parameters
journal, December 2006

The Adsorption Dynamics of Molecular Methane, Propane, and Neopentane on Pd(111): Theory and Experiment ^†
journal, August 2002

Alkane Trapping onto Structured Alkane Monolayers on Pt(111) at Low Temperature
journal, December 2000

Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite
journal, June 2014

Facile Dehydrogenation of Ethane on the IrO ₂ (110) Surface
journal, February 2018

Quantification of the selective activation of C–H bonds in short chain alkanes: The reactivity of ethane, propane, isobutane, n ‐butane, and neopentane on Ir(111)
journal, October 1995

Adsorption of alkanes on stoichiometric and oxygen-rich RuO ₂ (110)
journal, January 2016

Effects of conformational isomerism on the desorption kinetics of n -alkanes from graphite
journal, October 2001

Molecular adsorption and growth of n-butane adlayers on Pt(111)
journal, January 2001

The interaction of ethane, propane, isobutane, and neopentane with the (110) surface of iridium
journal, March 1982

Surface diffusion of n ‐alkanes on Ru(001)
journal, April 1990

Physisorption of CO on the MgO(100) Surface ^†
journal, May 2001

Geometric structure and chemical bonding of acetylene adsorbed on Cu(110)
journal, September 2004

Desorption Kinetics and Adlayer Sticking Model of n-Butane, n-Hexane, and n-Octane on Al2O3(0001)
journal, February 1995

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides
journal, August 2014

Adsorption and Oxidation of n -Butane on the Stoichiometric RuO ₂ (110) Surface
journal, April 2016

Low-temperature activation of methane on the IrO ₂ (110) surface
journal, April 2017

The Iron Oxides Strike Back: From Biomedical Applications to Energy Storage Devices and Photoelectrochemical Water Splitting
journal, July 2011

Energetics and Kinetics of the Physisorption of Hydrocarbons on Au(111)
journal, October 1998

Facile C−H Bond Cleavage and Deep Oxidation of Propane on a PdO(101) Thin Film
journal, May 2009

Water Gas Shift Catalysis
journal, September 2009

Adsorption of Formic Acid on the Fe ₃ O ₄ (001) Surface
journal, August 2015

Low-Temperature Oxidation of Methanol to Formaldehyde on a Model Single-Atom Catalyst: Pd Atoms on Fe ₃ O ₄ (001)
journal, October 2019

An Atomic-Scale View of CO and H ₂ Oxidation on a Pt/Fe ₃ O ₄ Model Catalyst
journal, September 2015

Adsorption and Oxidation of Ethylene on the Stoichiometric and O-Rich RuO ₂ (110) Surfaces
journal, September 2017

Structural Models and Thermal Desorption Energetics for Multilayer Assemblies of the n -Alkanes on Pt(111)
journal, January 2000

Physisorption of N ₂ , O ₂ , and CO on Fully Oxidized TiO ₂ (110)
journal, March 2006

Adsorption Dynamics and Desorption Kinetics of Argon and Methane on MgO(100) ^†
journal, August 2002

Kinetics and Energetics of Oligomer Desorption from Surfaces
journal, May 2001

High Selectivity for Primary C–H Bond Cleavage of Propane σ-Complexes on the PdO(101) Surface
journal, October 2011

The Role of Surface Defects in the Adsorption of Methanol on Fe3O4(001)
journal, September 2016

CO ₂ Adsorption on Magnetite Fe ₃ O ₄ (111)
journal, November 2018

Molecular adsorption of small alkanes on a PdO(101) thin film: Evidence of σ-complex formation
journal, January 2010

Adsorption of small hydrocarbons on rutile TiO2(110)
journal, August 2016

The adsorption and reaction of low molecular weight alkanes on metallic single crystal surfaces
journal, June 2003

Surface Chemistry of Late Transition Metal Oxides
journal, December 2012

Adsorption and reaction of methanol on Fe ₃ O ₄ (001)
journal, February 2020

A metastable Fe(A) termination at the Fe3O4(001) surface
journal, August 2011

Understanding Heterolytic H ₂ Cleavage and Water-Assisted Hydrogen Spillover on Fe ₃ O ₄ (001)-Supported Single Palladium Atoms
journal, July 2019

Iron oxide surfaces
journal, March 2016

Acetylene Coupling on Cu(111): Formation of Butadiene, Benzene, and Cyclooctatetraene
journal, June 2005

n-alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane
journal, April 2005

NEXAFS and TPD studies of molecular adsorption of hydrocarbons on Cu(100): segmental correlations with the heats of adsorption
journal, January 1998

Ethylene on Cu( 110 ) and Ni( 110 ): electronic structure and bonding derived from X-ray spectroscopy and theory
journal, June 2004

Understanding the Binding of Aromatic Hydrocarbons on Rutile TiO ₂ (110)
journal, June 2019

A multi-technique study of CO ₂ adsorption on Fe ₃ O ₄ magnetite
journal, January 2017

Subsurface cation vacancy stabilization of the magnetite (001) surface
journal, December 2014

Adsorption and incorporation of transition metals at the magnetite ${Fe}_{3} O_{4}$ (001) surface
journal, August 2015

Water agglomerates on Fe 3 O 4 (001)
journal, June 2018

Adsorption and Cyclotrimerization Kinetics of C ₂ H ₂ at a Cu(110) Surface
journal, April 2012

Water Ordering on the Magnetite Fe 3 O 4 Surfaces
journal, April 2019

Alkane activation on crystalline metal oxide surfaces
journal, January 2014

Adsorption of ethylene on stoichiometric RuO2(110)
journal, September 2004

The reaction of saturated and unsaturated hydrocarbons with the (110)‐(1×2) and (111) surfaces of iridium
journal, January 1984

Ordered Array of Single Adatoms with Remarkable Thermal Stability: $Au / {Fe}_{3} O_{4} (001)$
journal, May 2012