Atomic and molecular adsorption on Fe(110)

Xu, Lang; Kirvassilis, Demetrios; Bai, Yunhai; Mavrikakis, Manos

doi:10.1016/j.susc.2017.09.002

Title: Atomic and molecular adsorption on Fe(110)

Abstract

Iron is the principal catalyst for the ammonia synthesis process and the Fischer–Tropsch process, as well as many other heterogeneously catalyzed reactions. It is thus of fundamental importance to understand the interactions between the iron surface and various reaction intermediates. Here in this paper, we present a systematic study of atomic and molecular adsorption behavior over Fe(110) using periodic, self-consistent density functional theory (DFT-GGA) calculations. The preferred binding sites, binding energies, and the corresponding surface deformation energies of five atomic species (H, C, N, O, and S), six molecular species (NH₃, CH₄, N₂, CO, HCN, and NO), and eleven molecular fragments (CH, CH₂, CH₃, NH, NH₂, OH, CN, COH, HCO, NOH, and HNO) were determined on the Fe(110) surface at a coverage of 0.25 monolayer. The binding strengths calculated using the PW91 functional decreased in the following order: C> CH > N > O > S > NH > COH > CN > CH2 > NOH > OH > HNO > HCO > NH2 > H > NO > HCN > CH₃ > CO > N₂ > NH₃. No stable binding structures were observed for CH₄. The estimated diffusion barriers and pathways, as well as the adsorbate-surface and intramolecular vibrationalmore »« less

Authors:

Xu, Lang ^[1]; Kirvassilis, Demetrios ^[1]; Bai, Yunhai ^[1]; Mavrikakis, Manos ^[1]

Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemical and Biological Engineering

Publication Date:: Tue Sep 12 00:00:00 EDT 2017

Research Org.:: Univ. of Wisconsin, Madison, WI (United States)

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

Contributing Org.:: National Energy Research Scientific Computing Center (NERSC); the Center for Nanoscale Materials (CNM) at Argonne National Laboratory (ANL); and the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility at Pacific Northwest National Laboratory (PNNL)

OSTI Identifier:: 1398766

Alternate Identifier(s):: OSTI ID: 1549928

Grant/Contract Number:: FG02-05ER15731; AC02-06CH11357; AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Surface Science

Additional Journal Information:: Journal Volume: 667; Journal Issue: C; Journal ID: ISSN 0039-6028

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Density functional theory; Iron; Adsorption; Catalysis; Diffusion

Citation Formats


                    Xu, Lang, Kirvassilis, Demetrios, Bai, Yunhai, and Mavrikakis, Manos. Atomic and molecular adsorption on Fe(110).  United States: N. p., 2017. 
Web.  doi:10.1016/j.susc.2017.09.002.

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                    Xu, Lang, Kirvassilis, Demetrios, Bai, Yunhai, & Mavrikakis, Manos. Atomic and molecular adsorption on Fe(110).  United States.  https://doi.org/10.1016/j.susc.2017.09.002

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                    Xu, Lang, Kirvassilis, Demetrios, Bai, Yunhai, and Mavrikakis, Manos. Tue .  
"Atomic and molecular adsorption on Fe(110)".  United States.  https://doi.org/10.1016/j.susc.2017.09.002.  https://www.osti.gov/servlets/purl/1398766.

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@article{osti_1398766,

  title        = {Atomic and molecular adsorption on Fe(110)},

  author       = {Xu, Lang and Kirvassilis, Demetrios and Bai, Yunhai and Mavrikakis, Manos},

  abstractNote = {Iron is the principal catalyst for the ammonia synthesis process and the Fischer–Tropsch process, as well as many other heterogeneously catalyzed reactions. It is thus of fundamental importance to understand the interactions between the iron surface and various reaction intermediates. Here in this paper, we present a systematic study of atomic and molecular adsorption behavior over Fe(110) using periodic, self-consistent density functional theory (DFT-GGA) calculations. The preferred binding sites, binding energies, and the corresponding surface deformation energies of five atomic species (H, C, N, O, and S), six molecular species (NH3, CH4, N2, CO, HCN, and NO), and eleven molecular fragments (CH, CH2, CH3, NH, NH2, OH, CN, COH, HCO, NOH, and HNO) were determined on the Fe(110) surface at a coverage of 0.25 monolayer. The binding strengths calculated using the PW91 functional decreased in the following order: C> CH > N > O > S > NH > COH > CN > CH2 > NOH > OH > HNO > HCO > NH2 > H > NO > HCN > CH3 > CO > N2 > NH3. No stable binding structures were observed for CH4. The estimated diffusion barriers and pathways, as well as the adsorbate-surface and intramolecular vibrational modes of all the adsorbates at their preferred binding sites, were identified. Using the calculated adsorption energetics, we constructed the potential energy surfaces for a few surface reactions including the decomposition of methane, ammonia, dinitrogen, carbon monoxide, and nitric oxide. These potential energy surfaces provide valuable insight into the ability of Fe(110) to catalyze common elementary steps.},

  doi          = {10.1016/j.susc.2017.09.002},

  journal      = {Surface Science},

  number       = C,

  volume       = 667,

  place        = {United States},

  year         = {Tue Sep 12 00:00:00 EDT 2017},

  month        = {Tue Sep 12 00:00:00 EDT 2017}

}

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Solid State Communications, Vol. 35, Issue 8
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Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface
journal, August 2016

Chakrabarty, Aurab; Bouhali, Othmane; Mousseau, Normand
Journal of Applied Physics, Vol. 120, Issue 5
DOI: 10.1063/1.4959990

Density functional study of the adsorption of CO on Fe()
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Stibor, A.; Kresse, G.; Eichler, A.
Surface Science, Vol. 507-510
DOI: 10.1016/S0039-6028(02)01182-2

Coverage-Dependent CO Adsorption and Dissociation Mechanisms on Iron Surfaces from DFT Computations
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Wang, Tao; Tian, Xin-Xin; Li, Yong-Wang
ACS Catalysis, Vol. 4, Issue 6
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Atomic and molecular adsorption on Rh(111)
journal, October 2002

Mavrikakis, M.; Rempel, J.; Greeley, J.
The Journal of Chemical Physics, Vol. 117, Issue 14
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Atomic and Molecular Adsorption on Ir(111)
journal, January 2004

Krekelberg, William P.; Greeley, Jeff; Mavrikakis, Manos
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Atomic and molecular adsorption on Pt(111)
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Ford, Denise C.; Xu, Ye; Mavrikakis, Manos
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Atomic and molecular adsorption on Pd(111)
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Herron, Jeffrey A.; Tonelli, Scott; Mavrikakis, Manos
Surface Science, Vol. 606, Issue 21-22
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Atomic and molecular adsorption on Ru(0001)
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Herron, Jeffrey A.; Tonelli, Scott; Mavrikakis, Manos
Surface Science, Vol. 614
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Atomic and Molecular Adsorption on Re(0001)
journal, October 2013

Hahn, Konstanze; Mavrikakis, Manos
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Atomic and molecular adsorption on Au(111)
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Santiago-Rodríguez, Yohaselly; Herron, Jeffrey A.; Curet-Arana, María C.
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Physical Review B, Vol. 46, Issue 24
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Bengtsson, Lennart
Physical Review B, Vol. 59, Issue 19
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International Journal of Quantum Chemistry, Vol. 77, Issue 5
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A first-principles study of surface and subsurface H on and in Ni(111): diffusional properties and coverage-dependent behavior
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Greeley, Jeff; Mavrikakis, Manos
Surface Science, Vol. 540, Issue 2-3
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Carbon adsorption on and diffusion through the Fe(110) surface and in bulk: Developing a new strategy for the use of empirical potentials in complex material set-ups: Carbon adsorption on and diffusion through Fe(110) surface
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Sahputra, Iwan Halim; Chakrabarty, Aurab; Restrepo, Oscar
physica status solidi (b), Vol. 254, Issue 2
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The CO/Pt(111) Puzzle ^†
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Feibelman, Peter J.; Hammer, B.; Nørskov, J. K.
The Journal of Physical Chemistry B, Vol. 105, Issue 18
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CO adsorption on Cu(111) and Cu(001) surfaces: Improving site preference in DFT calculations
journal, October 2005

Gajdoš, Marek; Hafner, Jürgen
Surface Science, Vol. 590, Issue 2-3
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Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111)
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Farberow, Carrie A.; Dumesic, James A.; Mavrikakis, Manos
ACS Catalysis, Vol. 4, Issue 10
DOI: 10.1021/cs500668k

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Emergence of Multispinterface and Antiferromagnetic Molecular Exchange Bias via Molecular Stacking on a Ferromagnetic Film
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Advanced Functional Materials, Vol. 30, Issue 11
DOI: 10.1002/adfm.201908499

Acridine-based thiosemicarbazones as novel inhibitors of mild steel corrosion in 1 M HCl: synthesis, electrochemical, DFT and Monte Carlo simulation studies
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RSC Advances, Vol. 9, Issue 51
DOI: 10.1039/c9ra04778f

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Title: Atomic and molecular adsorption on Fe(110)

Abstract

Citation Formats

Ammonia synthesis: The bellwether reaction in heterogeneous catalysis journal, September 1994

The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts journal, January 2001

Catalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis Catalysts journal, August 2001

Iron single crystals as ammonia synthesis catalysts: Effect of surface structure on catalyst activity journal, March 1982

Surface, catalytic and magnetic properties of small iron particles III. Nitrogen induced surface reconstruction journal, June 1975

The application of surface kinetic data to the industrial synthesis of ammonia journal, January 1988

Extrapolation of the kinetics of model ammonia synthesis catalysts to industrially relevant temperatures and pressures journal, January 1985

Bridging the "Pressure Gap" between Ultrahigh-Vacuum Surface Physics and High-Pressure Catalysis journal, November 1985

Ammonia synthesis kinetics: Surface chemistry, rate expressions, and kinetic analysis journal, September 1994

The importance of C7 sites and surface roughness in the ammonia synthesis reaction over iron journal, January 1987

Primary steps in catalytic synthesis of ammonia journal, April 1983

The effects of potassium on ammonia synthesis over iron single-crystal surfaces journal, January 1988

The Adsorption of Nitrogen by Iron Synthetic Ammonia Catalysts journal, January 1934

The effects of aluminum oxide in restructuring iron single crystal surfaces for ammonia synthesis journal, February 1987

Nitrogen dissociation on Fe: Activated, non-activated or both? journal, September 1994

Dissociative Adsorption of Dinitrogen on a Multipromoted Iron-Based Ammonia Synthesis Catalyst: Linking Properties of Catalysts and Single-Crystal Surfaces journal, February 2001

Kinetic simulation of ammonia synthesis catalysis journal, March 1989

Ammonia Synthesis over a Multipromoted Iron Catalyst: Extended Set of Activity Measurements, Microkinetic Model, and Hydrogen Inhibition journal, November 1999

Kinetics and Selectivity of the Fischer–Tropsch Synthesis: A Literature Review journal, January 1999

The Fischer–Tropsch process: 1950–2000 journal, January 2002

Supported Iron Nanoparticles as Catalysts for Sustainable Production of Lower Olefins journal, April 2012

Behavior of metallic iron catalysts during Fischer-Tropsch synthesis studied with Mössbauer spectroscopy, x-ray diffraction, carbon content determination, and reaction kinetic measurements journal, December 1980

Heats of chemisorption on promoted iron surfaces and the role of alkali in Fischer-Tropsch synthesis journal, October 1969

Lithium ion-exchanged zeolite faujasite as support of iron catalyst for Fischer-Tropsch synthesis journal, March 2007

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

Effect of Confinement in Carbon Nanotubes on the Activity of Fischer−Tropsch Iron Catalyst journal, July 2008

Promoted Iron-Based Catalysts for the Fischer–Tropsch Synthesis: Design, Synthesis, Site Densities, and Catalytic Properties journal, March 2002

Activation of Precipitated Iron Fischer-Tropsch Synthesis Catalysts journal, October 1995

CO activation pathways and the mechanism of Fischer–Tropsch synthesis journal, June 2010

Kinetically Relevant Steps and H 2 /D 2 Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts journal, October 2010

The interaction of surface sulfur with carbon on Fe(110) journal, August 1981

The chemisorption of hydrogen on a (110) iron crystal studied by vibrational spectroscopy (EELS) journal, December 1981

The chemisorption of CO, CO2, C2H2, C2H4, H2 and NH3 on the clean Fe(100) and (111) crystal surfaces journal, July 1978

Adsorption of hydrogen on Fe(110) at cryogenic temperatures investigated by low energy electron diffraction journal, May 1992

Adsorption of H 2 on (110), (111) and Stepped (111) Iron Single Crystal Surfaces journal, October 1980

Adsorption geometry of hydrogen on Fe(110) journal, August 1985

Hydrogen-induced restructuring of close-packed metal surfaces: H/Ni(111) and H/Fe(110) journal, June 1993

Chemisorption of hydrogen on iron surfaces journal, September 1977

Phase transitions of a two-dimensional chemisorbed system: H on Fe(110) journal, May 1982

The adsorption of H2 and D2 on Fe(110) journal, January 1988

Hydrogen on the Fe(110) surface and near bulk bcc Fe vacancies journal, February 1999

Processes of H2 adsorption on Fe(110) surface: A density functional theory study journal, March 2014

Adsorption and diffusion energetics of hydrogen atoms on Fe(110) from first principles journal, December 2003

A UPS and LEED/Auger study of adsorbates on Fe(110) journal, August 1977

Chemisorption of nitrogen on iron catalysts in connection with ammonia synthesis. Part 1.—The kinetics of the adsorption and desorption of nitrogen journal, January 1959

On the forms of nitrogen adsorbed on iron journal, January 1968

Kinetics of nitrogen adsorption on iron journal, September 1983

Density-functional study of the chemisorption of N on and below Fe(110) and Fe(001) surfaces journal, May 2007

Nitrogen adsorption on Fe(111), (100), and (110) surfaces journal, February 1999

Coverage-Dependent N 2 Adsorption and Its Modification of Iron Surfaces Structures journal, January 2016

A LEED-AES study of the oxidation of Fe (110) and Fe (100) journal, December 1973

Initial stages of Fe(110) oxidation at 300 K: kinetics and structure journal, July 1995

Leed studies of oxygen adsorption and oxide formation on an (011) iron surface journal, July 1967

Oxidation of (011) Iron at Room Temperature: Mainly LEED Aspects journal, January 1973

Spin-resolved photoemission investigation of the c ( 2 × 2 ) and c ( 3 × 1 ) oxygen overlayers on the Fe(110) surface journal, November 1998

Coadsorption of potassium and oxygen on Fe(110) journal, April 1980

Oxidation of the Fe(110) surface: An Fe 3 O 4 ( 111 ) / F e ( 110 ) bilayer journal, June 2000

Oxygen structures on Fe(110) journal, March 2003

Angle-resolved photoemission of the c(2 × 2) and c(3 × 1) oxygen overlayers on Fe(110) journal, December 1985

Spin-resolved photoemission study of the clean and oxygen-covered Fe(110) surface journal, July 1993

Initial stages of oxidation of (100) and (110) surfaces of iron caused by water journal, August 2001

Theoretical study of oxygen adsorption at the Fe(110) and (100) surfaces journal, September 2005

Oxygen adsorption on Fe(110) surface revisited journal, July 2015

Adhesion of metals to a clean iron surface studied with leed and auger emission spectroscopy journal, May 1972

Carbon atom adsorption on and diffusion into Fe(110) and Fe(100) from first principles journal, January 2005

Submonolayers of carbon on α -Fe facets: An ab initio study journal, September 2010

Investigation of the surface phase diagram of Fe()–S journal, August 2002

Metal-Surface Reconstruction Induced by Adsorbate: Fe ( 110 ) p ( 2 × 2 ) -S journal, March 1981

Effect of S Arrangement on Fe(110) Properties at 1/3 Monolayer Coverage: A DFT Study journal, January 2006

Coverage-Dependent Adsorption of Atomic Sulfur on Fe(110): A DFT Study journal, May 2005

Interaction of NH3 with Fe(110): Identification of surface species by means of Secondary Ion Mass Spectroscopy (SIMS) journal, September 1979

Adsorption and decomposition of ammonia on Fe(110) journal, May 1979

Low‐energy vibrations of NH 3 and CO adsorbed on Fe(110) journal, March 1992

An Auger electron spectroscopic study of the reaction of ammonia with Fe(110) journal, December 1987

Vibrational spectra of ammonia adsorbed on Fe(110) journal, July 1982

The adsorption of ammonia on an Fe(110) single-crystal surface studied by high-resolution electron energy-loss spectroscopy (eels) journal, January 1983

Theoretical Study of NH 3 Adsorption on Fe(110) and Fe(111) Surfaces journal, March 2006

Ammonia synthesis: The bellwether reaction in heterogeneous catalysis
journal, September 1994

The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts
journal, January 2001

Catalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis Catalysts
journal, August 2001

Iron single crystals as ammonia synthesis catalysts: Effect of surface structure on catalyst activity
journal, March 1982

Surface, catalytic and magnetic properties of small iron particles III. Nitrogen induced surface reconstruction
journal, June 1975

The application of surface kinetic data to the industrial synthesis of ammonia
journal, January 1988

Extrapolation of the kinetics of model ammonia synthesis catalysts to industrially relevant temperatures and pressures
journal, January 1985

Bridging the "Pressure Gap" between Ultrahigh-Vacuum Surface Physics and High-Pressure Catalysis
journal, November 1985

Ammonia synthesis kinetics: Surface chemistry, rate expressions, and kinetic analysis
journal, September 1994

The importance of C7 sites and surface roughness in the ammonia synthesis reaction over iron
journal, January 1987

Primary steps in catalytic synthesis of ammonia
journal, April 1983

The effects of potassium on ammonia synthesis over iron single-crystal surfaces
journal, January 1988

The Adsorption of Nitrogen by Iron Synthetic Ammonia Catalysts
journal, January 1934

The effects of aluminum oxide in restructuring iron single crystal surfaces for ammonia synthesis
journal, February 1987

Nitrogen dissociation on Fe: Activated, non-activated or both?
journal, September 1994

Dissociative Adsorption of Dinitrogen on a Multipromoted Iron-Based Ammonia Synthesis Catalyst: Linking Properties of Catalysts and Single-Crystal Surfaces
journal, February 2001

Kinetic simulation of ammonia synthesis catalysis
journal, March 1989

Ammonia Synthesis over a Multipromoted Iron Catalyst: Extended Set of Activity Measurements, Microkinetic Model, and Hydrogen Inhibition
journal, November 1999

Kinetics and Selectivity of the Fischer–Tropsch Synthesis: A Literature Review
journal, January 1999

The Fischer–Tropsch process: 1950–2000
journal, January 2002

Supported Iron Nanoparticles as Catalysts for Sustainable Production of Lower Olefins
journal, April 2012

Behavior of metallic iron catalysts during Fischer-Tropsch synthesis studied with Mössbauer spectroscopy, x-ray diffraction, carbon content determination, and reaction kinetic measurements
journal, December 1980

Heats of chemisorption on promoted iron surfaces and the role of alkali in Fischer-Tropsch synthesis
journal, October 1969

Lithium ion-exchanged zeolite faujasite as support of iron catalyst for Fischer-Tropsch synthesis
journal, March 2007

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

Effect of Confinement in Carbon Nanotubes on the Activity of Fischer−Tropsch Iron Catalyst
journal, July 2008

Promoted Iron-Based Catalysts for the Fischer–Tropsch Synthesis: Design, Synthesis, Site Densities, and Catalytic Properties
journal, March 2002

Activation of Precipitated Iron Fischer-Tropsch Synthesis Catalysts
journal, October 1995

CO activation pathways and the mechanism of Fischer–Tropsch synthesis
journal, June 2010

Kinetically Relevant Steps and H ₂ /D ₂ Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts
journal, October 2010

The interaction of surface sulfur with carbon on Fe(110)
journal, August 1981

The chemisorption of hydrogen on a (110) iron crystal studied by vibrational spectroscopy (EELS)
journal, December 1981

The chemisorption of CO, CO2, C2H2, C2H4, H2 and NH3 on the clean Fe(100) and (111) crystal surfaces
journal, July 1978

Adsorption of hydrogen on Fe(110) at cryogenic temperatures investigated by low energy electron diffraction
journal, May 1992

Adsorption of H ₂ on (110), (111) and Stepped (111) Iron Single Crystal Surfaces
journal, October 1980

Adsorption geometry of hydrogen on Fe(110)
journal, August 1985

Hydrogen-induced restructuring of close-packed metal surfaces: H/Ni(111) and H/Fe(110)
journal, June 1993

Chemisorption of hydrogen on iron surfaces
journal, September 1977

Phase transitions of a two-dimensional chemisorbed system: H on Fe(110)
journal, May 1982

The adsorption of H2 and D2 on Fe(110)
journal, January 1988

Hydrogen on the Fe(110) surface and near bulk bcc Fe vacancies
journal, February 1999

Processes of H2 adsorption on Fe(110) surface: A density functional theory study
journal, March 2014

Adsorption and diffusion energetics of hydrogen atoms on Fe(110) from first principles
journal, December 2003

A UPS and LEED/Auger study of adsorbates on Fe(110)
journal, August 1977

Chemisorption of nitrogen on iron catalysts in connection with ammonia synthesis. Part 1.—The kinetics of the adsorption and desorption of nitrogen
journal, January 1959

On the forms of nitrogen adsorbed on iron
journal, January 1968

Kinetics of nitrogen adsorption on iron
journal, September 1983

Density-functional study of the chemisorption of N on and below Fe(110) and Fe(001) surfaces
journal, May 2007

Nitrogen adsorption on Fe(111), (100), and (110) surfaces
journal, February 1999

Coverage-Dependent N ₂ Adsorption and Its Modification of Iron Surfaces Structures
journal, January 2016

A LEED-AES study of the oxidation of Fe (110) and Fe (100)
journal, December 1973

Initial stages of Fe(110) oxidation at 300 K: kinetics and structure
journal, July 1995

Leed studies of oxygen adsorption and oxide formation on an (011) iron surface
journal, July 1967

Oxidation of (011) Iron at Room Temperature: Mainly LEED Aspects
journal, January 1973

Spin-resolved photoemission investigation of the $c (2 \times 2)$ and $c (3 \times 1)$ oxygen overlayers on the Fe(110) surface
journal, November 1998

Coadsorption of potassium and oxygen on Fe(110)
journal, April 1980

Oxidation of the Fe(110) surface: An ${Fe}_{3} O_{4} (111) / F e (110)$ bilayer
journal, June 2000

Oxygen structures on Fe(110)
journal, March 2003

Angle-resolved photoemission of the c(2 × 2) and c(3 × 1) oxygen overlayers on Fe(110)
journal, December 1985

Spin-resolved photoemission study of the clean and oxygen-covered Fe(110) surface
journal, July 1993

Initial stages of oxidation of (100) and (110) surfaces of iron caused by water
journal, August 2001

Theoretical study of oxygen adsorption at the Fe(110) and (100) surfaces
journal, September 2005

Oxygen adsorption on Fe(110) surface revisited
journal, July 2015

Adhesion of metals to a clean iron surface studied with leed and auger emission spectroscopy
journal, May 1972

Carbon atom adsorption on and diffusion into Fe(110) and Fe(100) from first principles
journal, January 2005

Submonolayers of carbon on $α -Fe$ facets: An ab initio study
journal, September 2010

Investigation of the surface phase diagram of Fe()–S
journal, August 2002

Metal-Surface Reconstruction Induced by Adsorbate: $Fe (110) p (2 \times 2)$ -S
journal, March 1981

Effect of S Arrangement on Fe(110) Properties at 1/3 Monolayer Coverage: A DFT Study
journal, January 2006

Coverage-Dependent Adsorption of Atomic Sulfur on Fe(110): A DFT Study
journal, May 2005

Interaction of NH3 with Fe(110): Identification of surface species by means of Secondary Ion Mass Spectroscopy (SIMS)
journal, September 1979

Adsorption and decomposition of ammonia on Fe(110)
journal, May 1979

Low‐energy vibrations of NH ₃ and CO adsorbed on Fe(110)
journal, March 1992

An Auger electron spectroscopic study of the reaction of ammonia with Fe(110)
journal, December 1987

Vibrational spectra of ammonia adsorbed on Fe(110)
journal, July 1982

The adsorption of ammonia on an Fe(110) single-crystal surface studied by high-resolution electron energy-loss spectroscopy (eels)
journal, January 1983

Theoretical Study of NH ₃ Adsorption on Fe(110) and Fe(111) Surfaces
journal, March 2006

A low-energy electron diffraction study of Fe(110)
journal, July 1976

Co adsorption on potassium promoted Fe(110)
journal, June 1979

Vibrational spectra of CO chemisorbed on Fe (110)
journal, March 1981