Fe Oxides on Ag Surfaces: Structure and Reactivity

Shipilin, M.; Lundgren, E.; Gustafson, J.; Zhang, C.; Bertram, F.; Nicklin, C.; Heard, C. J.; Gronbeck, H.; Zhang, F.; Choi, J.; Mehar, V.; Weaver, J. F.; Merte, L. R.

doi:10.1007/s11244-016-0714-8

Title: Fe Oxides on Ag Surfaces: Structure and Reactivity

Journal Article · Fri Sep 09 00:00:00 EDT 2016 · Topics in Catalysis

DOI:https://doi.org/10.1007/s11244-016-0714-8· OSTI ID:1429487

Shipilin, M. ^[1]; Lundgren, E. ^[1]; Gustafson, J. ^[1]; Zhang, C. ^[1]; Bertram, F. ^[2]; Nicklin, C. ^[3]; Heard, C. J. ^[4]; Gronbeck, H. ^[4]; Zhang, F. ^[5]; Choi, J. ^[5]; Mehar, V. ^[5]; Weaver, J. F. ^[5]; Merte, L. R. ^[1]

Lund Univ. (Sweden). Division of Synchrotron Radiation Research
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Photon Science
Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
Chalmers Univ. of Technology, Goteborg (Sweden)
Univ. of Florida, Gainesville, FL (United States). Dept. of Chemical Engineering

One layer thick iron oxide films are attractive from both applied and fundamental science perspectives. The structural and chemical properties of these systems can be tuned by changing the substrate, making them promising materials for heterogeneous catalysis. In the present work, we investigate the structure of FeO(111) monolayer films grown on Ag(100) and Ag(111) substrates by means of microscopy and diffraction techniques and compare it with the structure of FeO(111) grown on other substrates reported in literature. We also study the NO adsorption properties of FeO(111)/Ag(100) and FeO(111)/Ag(111) systems utilizing different spectroscopic techniques. Finally, we discuss similarities and differences in the data obtained from adsorption experiments and compare it with previous results for FeO(111)/Pt(111).

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences, & Biosciences (CSGB) Division; Röntgen-Ångström Cluster (RÅC); Swedish Research Council (SRC); Swedish Foundation for International Cooperation in Research and Higher Education (STINT); Swedish National Infrastructure for Computing (SNIC); Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.

Grant/Contract Number:: FG02-03ER15478

OSTI ID:: 1429487

Journal Information:: Topics in Catalysis, Vol. 60, Issue 6-7; ISSN 1022-5528

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 11 works

Citation information provided by
Web of Science

References (63)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Structural analysis of FeO(1 1 1)/Ag(0 0 1): undulation of hexagonal oxide monolayers due to square lattice metal substrates Bruns, D.; Kiesel, I.; Jentsch, S. Journal of Physics: Condensed Matter, Vol. 26, Issue 31 https://doi.org/10.1088/0953-8984/26/31/315001	journal	June 2014
Characterization and orientation of adsorbed NO dimers on Ag{111} at low temperatures Brown, W. A.; Gardner, P.; Jigato, M. Perez The Journal of Chemical Physics, Vol. 102, Issue 18 https://doi.org/10.1063/1.469039	journal	May 1995
The Interplay between Structure and CO Oxidation Catalysis on Metal-Supported Ultrathin Oxide Films Sun, Ying-Na; Giordano, Livia; Goniakowski, Jacek Angewandte Chemie International Edition, Vol. 49, Issue 26 https://doi.org/10.1002/anie.201000437	journal	June 2010
Angle calculations for a (2+3)-type diffractometer: focus on area detectors Schlepütz, Christian M.; Mariager, Simon O.; Pauli, Stephan A. Journal of Applied Crystallography, Vol. 44, Issue 1 https://doi.org/10.1107/S0021889810048922	journal	December 2010
Interplay between structural, magnetic, and electronic properties in a $Fe O ∕ Pt (111)$ ultrathin film Giordano, Livia; Pacchioni, Gianfranco; Goniakowski, Jacek Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075416	journal	August 2007
Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111) Merte, Lindsay R.; Heard, Christopher J.; Zhang, Feng Angewandte Chemie International Edition, Vol. 55, Issue 32 https://doi.org/10.1002/anie.201601647	journal	June 2016
Oxygen-Induced Transformations of an FeO(111) Film on Pt(111): A Combined DFT and STM Study Giordano, L.; Lewandowski, M.; Groot, I. M. N. The Journal of Physical Chemistry C, Vol. 114, Issue 49 https://doi.org/10.1021/jp1070105	journal	November 2010
Extension of the nitrosyl-aryldiazo analogy. Structure of an aryldiazo group coordinated to rhodium in a doubly bent fashion Gaughan, Arthur P.; Haymore, Barry L.; Ibers, James A. Journal of the American Chemical Society, Vol. 95, Issue 20 https://doi.org/10.1021/ja00801a070	journal	October 1973
Crystal and molecular structure of hydridonitrosyltris(triphenylphosphine)iridium(I) perchlorate, [IrH(NO)(P(C6H5)3)3][ClO4] Ibers, James A.; Mingos, D. M. P. Inorganic Chemistry, Vol. 10, Issue 7 https://doi.org/10.1021/ic50101a033	journal	July 1971
Direct Visualization of Catalytically Active Sites at the FeO–Pt(111) Interface Kudernatsch, Wilhelmine; Peng, Guowen; Zeuthen, Helene ACS Nano, Vol. 9, Issue 8 https://doi.org/10.1021/acsnano.5b02339	journal	June 2015
Polar oxide surfaces Noguera, Claudine Journal of Physics: Condensed Matter, Vol. 12, Issue 31 https://doi.org/10.1088/0953-8984/12/31/201	journal	July 2000
Theory of the scanning tunneling microscope Tersoff, J.; Hamann, D. R. Physical Review B, Vol. 31, Issue 2 https://doi.org/10.1103/PhysRevB.31.805	journal	January 1985
Interface-Confined Ferrous Centers for Catalytic Oxidation Fu, Q.; Li, W. -X.; Yao, Y. Science, Vol. 328, Issue 5982 https://doi.org/10.1126/science.1188267	journal	May 2010
Preparation of a well ordered iron oxide on Cu(110) Pflitsch, Christian; David, Rudolf; Verheij, Laurens K. Surface Science, Vol. 488, Issue 1-2 https://doi.org/10.1016/S0039-6028(01)01106-2	journal	August 2001
Oxide nano-engineering using MBE Schlom, D. G.; Haeni, J. H.; Lettieri, J. Materials Science and Engineering: B, Vol. 87, Issue 3 https://doi.org/10.1016/S0921-5107(01)00726-7	journal	December 2001
Comparison of linear nitrosyl and singly bent aryldiazo complexes of ruthenium. Structures of trichloronitrosylbis(triphenylphosphine)ruthenium, RuCl3(NO)(P(C6H5)3)2, and trichloro(p-tolyl)diazobis(triphenylphosphine)ruthenium-dichloromethane, RuCl3(p-NNC6H4CH3)(P(C6H5)3)2.CH2Cl2 Haymore, Barry L.; Ibers, James A. Inorganic Chemistry, Vol. 14, Issue 12 https://doi.org/10.1021/ic50154a041	journal	December 1975
The structure of monolayer films of FeO on Pt(111) Galloway, H. C.; Benítez, J. J.; Salmeron, M. Surface Science, Vol. 298, Issue 1, p. 127-133 https://doi.org/10.1016/0039-6028(93)90089-3	journal	December 1993
Structure, composition and chemisorption studies of thin ordered iron oxide films on platinum (111) Vurens, G. H.; Salmeron, M.; Somorjai, G. A. Surface Science, Vol. 201, Issue 1-2 https://doi.org/10.1016/0039-6028(88)90602-4	journal	January 1988
Growth of Ultrathin Iron Oxide Films on Ag(100) Merte, Lindsay R.; Shipilin, Mikhail; Ataran, Sara The Journal of Physical Chemistry C, Vol. 119, Issue 5 https://doi.org/10.1021/jp511496w	journal	February 2015
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Structure of Stoichiometric and Oxygen-Rich Ultrathin FeO(111) Films Grown on Pd(111) Zeuthen, Helene; Kudernatsch, Wilhelmine; Peng, Guowen The Journal of Physical Chemistry C, Vol. 117, Issue 29 https://doi.org/10.1021/jp4042638	journal	July 2013
In Situ Observation of Water Dissociation with Lattice Incorporation at FeO Particle Edges Using Scanning Tunneling Microscopy and X-ray Photoelectron Spectroscopy Deng, Xingyi; Lee, Junseok; Wang, Congjun Langmuir, Vol. 27, Issue 6 https://doi.org/10.1021/la1049716	journal	March 2011
Preparation and structure of 1–8 monolayer thick epitaxial iron oxide films grown on Pt(111) Weiss, Werner; Somorjai, Gabor A. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 11, Issue 4 https://doi.org/10.1116/1.578382	journal	July 1993
Self-assembled periodic ${Fe}_{3} O_{4}$ nanostructures in ultrathin FeO(111) films on Ru(0001) Ketteler, Guido; Ranke, Wolfgang Physical Review B, Vol. 66, Issue 3 https://doi.org/10.1103/PhysRevB.66.033405	journal	July 2002
Two-Dimensional Oxides and Their Role in Electron Transfer Mechanisms with Adsorbed Species: Electron Transfer Mechanisms in 2D Oxides Pacchioni, Gianfranco The Chemical Record, Vol. 14, Issue 5 https://doi.org/10.1002/tcr.201402002	journal	June 2014
Heteroepitaxial Growth and Nucleation of Iron Oxide Films on Ru(0001) Ketteler, Guido; Ranke, Wolfgang The Journal of Physical Chemistry B, Vol. 107, Issue 18 https://doi.org/10.1021/jp027265f	journal	May 2003
Structure of epitaxial iron oxide films grown on Pt(100) determined by low energy electron diffraction Ritter, M.; Over, H.; Weiss, W. Surface Science, Vol. 371, Issue 2-3 https://doi.org/10.1016/S0039-6028(96)01010-2	journal	February 1997
Growth of iron oxide on Cu(001) at elevated temperature Karunamuni, J.; Kurtz, Richard L.; Stockbauer, Roger L. Surface Science, Vol. 442, Issue 2 https://doi.org/10.1016/S0039-6028(99)00921-8	journal	November 1999
Structure–Property Relationship and Chemical Aspects of Oxide–Metal Hybrid Nanostructures Surnev, Svetlozar; Fortunelli, Alessandro; Netzer, Falko P. Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr300307n	journal	December 2012
NO Chemisorption and Reactions on Metal Surfaces: A New Perspective Brown, Wendy A.; King, David A. The Journal of Physical Chemistry B, Vol. 104, Issue 12 https://doi.org/10.1021/jp9930907	journal	March 2000
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Adsorption of NO on FeO _x Films Grown on Ag(111) Mehar, Vikram; Merte, Lindsay R.; Choi, Juhee The Journal of Physical Chemistry C, Vol. 120, Issue 17 https://doi.org/10.1021/acs.jpcc.6b01751	journal	April 2016
Nucleation and growth of Fe and FeO nanoparticles and films on Au(111) Khan, Neetha A.; Matranga, Christopher Surface Science, Vol. 602, Issue 4 https://doi.org/10.1016/j.susc.2007.12.027	journal	February 2008
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Synthesis of epitaxial ${Fe}_{3} O_{4}$ films on Cu(001) Kurtz, Richard L.; Karunamuni, J.; Stockbauer, R. L. Physical Review B, Vol. 60, Issue 24 https://doi.org/10.1103/PhysRevB.60.R16342	journal	December 1999
CO Oxidation on PdO(101) during Temperature-Programmed Reaction Spectroscopy: Role of Oxygen Vacancies Zhang, Feng; Pan, Li; Li, Tao The Journal of Physical Chemistry C, Vol. 118, Issue 49 https://doi.org/10.1021/jp509383v	journal	November 2014
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Iron oxide surfaces Parkinson, Gareth S. Surface Science Reports, Vol. 71, Issue 1 https://doi.org/10.1016/j.surfrep.2016.02.001	journal	March 2016
Monolayer iron oxide film on platinum promotes low temperature CO oxidation Sun, Y. -N.; Qin, Z. -H.; Lewandowski, M. Journal of Catalysis, Vol. 266, Issue 2 https://doi.org/10.1016/j.jcat.2009.07.002	journal	September 2009
Two-dimensional iron oxide bi-and trilayer structures on Pd(100) Kuhness, D.; Pomp, S.; Mankad, V. Surface Science, Vol. 645 https://doi.org/10.1016/j.susc.2015.10.032	journal	March 2016
Integration techniques for surface X-ray diffraction data obtained with a two-dimensional detector Drnec, Jakub; Zhou, Tao; Pintea, Stelian Journal of Applied Crystallography, Vol. 47, Issue 1 https://doi.org/10.1107/S1600576713032342	journal	January 2014
Epitaxial growth of iron oxide films on Ag(111) Waddill, G. D.; Ozturk, O. Surface Science, Vol. 575, Issue 1-2 https://doi.org/10.1016/j.susc.2004.10.050	journal	January 2005
CO+NO versus CO+O2 Reaction on Monolayer FeO(111) Films on Pt(111) Lei, Yu; Lewandowski, Mikolaj; Sun, Ying-Na ChemCatChem, Vol. 3, Issue 4 https://doi.org/10.1002/cctc.201000388	journal	January 2011
Properties of oxide thin films and their adsorption behavior studied by scanning tunneling microscopy and conductance spectroscopy Nilius, Niklas Surface Science Reports, Vol. 64, Issue 12 https://doi.org/10.1016/j.surfrep.2009.07.004	journal	December 2009
Nature of Interface Confinement Effect in Oxide/Metal Catalysts Ning, Yanxiao; Wei, Mingming; Yu, Liang The Journal of Physical Chemistry C, Vol. 119, Issue 49 https://doi.org/10.1021/acs.jpcc.5b09498	journal	November 2015
Substrate-induced structural modulation of a CoO(111) bilayer on Ir(100) Ebensperger, Christina; Gubo, Matthias; Meyer, Wolfgang Physical Review B, Vol. 81, Issue 23 https://doi.org/10.1103/PhysRevB.81.235405	journal	June 2010
Metal supported oxide nanostructures: model systems for advanced catalysis Schoiswohl, J.; Sock, M.; Chen, Q. Topics in Catalysis, Vol. 46, Issue 1-2 https://doi.org/10.1007/s11244-007-0324-6	journal	September 2007
Unraveling the Edge Structures of Platinum(111)-Supported Ultrathin FeO Islands: The Influence of Oxidation State Zeuthen, Helene; Kudernatsch, Wilhelmine; Merte, Lindsay R. ACS Nano, Vol. 9, Issue 1 https://doi.org/10.1021/nn505890v	journal	January 2015
Very Low Temperature Surface Reaction: N2O Formation from NO Dimers at 70 to 90 K on Ag{111} Brown, W. A.; Gardner, P.; King, D. A. The Journal of Physical Chemistry, Vol. 99, Issue 18 https://doi.org/10.1021/j100018a045	journal	May 1995
Epitaxial growth and properties of thin film oxides Chambers, Scott A. Surface Science Reports, Vol. 39, Issue 5-6 https://doi.org/10.1016/S0167-5729(00)00005-4	journal	August 2000
Interconversion of α-Fe ₂ O ₃ and Fe ₃ O ₄ Thin Films: Mechanisms, Morphology, and Evidence for Unexpected Substrate Participation Genuzio, Francesca; Sala, Alessandro; Schmidt, Thomas The Journal of Physical Chemistry C, Vol. 118, Issue 50 https://doi.org/10.1021/jp504020a	journal	October 2014
CO oxidation on single and multilayer Pd oxides on Pd(111): mechanistic insights from RAIRS Zhang, Feng; Li, Tao; Pan, Li Catal. Sci. Technol., Vol. 4, Issue 11 https://doi.org/10.1039/C4CY00938J	journal	January 2014
Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111) Merte, Lindsay R.; Heard, Christopher J.; Zhang, Feng Angewandte Chemie, Vol. 128, Issue 32 https://doi.org/10.1002/ange.201601647	journal	March 2016
NO Chemisorption and Reactions on Metal Surfaces: A New Perspective Brown, Wendy A.; King, David A. The Journal of Physical Chemistry B, Vol. 104, Issue 47 https://doi.org/10.1021/jp003716p	journal	November 2000
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
The Interplay between Structure and CO Oxidation Catalysis on Metal-Supported Ultrathin Oxide Films Sun, Ying-Na; Giordano, Livia; Goniakowski, Jacek Angewandte Chemie, Vol. 122, Issue 26 https://doi.org/10.1002/ange.201000437	journal	June 2010
Growth, structure and chemical properties of FeO overlayers on Pt(100) and Pt(111) Vurens, G. H.; Maurice, V.; Salmeron, M. Surface Science, Vol. 268, Issue 1-3 https://doi.org/10.1016/0039-6028(92)90960-e	journal	January 1992
Surface chemistry and catalysis on well-defined epitaxial iron-oxide layers Weiss, Werner; Ranke, Wolfgang Progress in Surface Science, Vol. 70, Issue 1-3 https://doi.org/10.1016/s0079-6816(01)00056-9	journal	March 2002
Linear vs. bent nitrosyl ligands in four-coordinate transition metal complexes. Structure of dinitrosylbis(triphenylphosphine)osmium(-II) hemibenzene, Os(NO)2(P(C6H5)3)2.1/2C6H6 Haymore, Barry L.; Ibers, James A. Inorganic Chemistry, Vol. 14, Issue 11 https://doi.org/10.1021/ic50153a005	journal	November 1975
Hexagonal heterolayers on a square lattice: A combined STM and LEED study of FeO(111) on Pt(100) Shaikhutdinov, Sh.; Ritter, M.; Weiss, W. Physical Review B, Vol. 62, Issue 11 https://doi.org/10.1103/physrevb.62.7535	journal	September 2000
Integrated Intensities Using a Six-Circle Surface X-ray Diffractometer Vlieg, E. Journal of Applied Crystallography, Vol. 30, Issue 5 https://doi.org/10.1107/s0021889897002537	journal	October 1997

Cited By (2)

The Roles of Oxide Growth and Sub-Surface Facets in Oxygen Evolution Activity of Iridium and Its Impact on Electrolysis Alia, Shaun M.; Ha, Mai-Anh; Anderson, Grace C. Journal of The Electrochemical Society, Vol. 166, Issue 15 https://doi.org/10.1149/2.0771915jes	journal	January 2019
On the Structure of Ultrathin FeO Films on Ag(111) Lewandowski, Mikołaj; Pabisiak, Tomasz; Michalak, Natalia Nanomaterials, Vol. 8, Issue 10 https://doi.org/10.3390/nano8100828	journal	October 2018

Figures / Tables (9)

Similar Records

Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111)

Journal Article · Mon Jun 27 00:00:00 EDT 2016 · Angewandte Chemie · OSTI ID:1429487

Merte, Lindsay R.; Heard, Christopher J.; Zhang, Feng; +6 more

Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111)

Journal Article · Mon Jun 27 00:00:00 EDT 2016 · Angewandte Chemie (International Edition) · OSTI ID:1429487

Merte, Lindsay R.; Heard, Christopher J.; Zhang, Feng; +6 more

Reactivity of FeO(111)/Pt(111)with Alcohols

Journal Article · Thu Nov 19 00:00:00 EST 2009 · Journal of Physical Chemistry C, 113(46):20020-20028 · OSTI ID:1429487

Kim, Yu Kwon; Zhang, Zhenrong; Parkinson, Gareth S; +3 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
FeO
Ag
Surface X-ray diffraction
Reactivity
Single crystal surfaces
Surface structure