skip to main content

DOE PAGESDOE PAGES

Title: Fe Oxides on Ag Surfaces: Structure and Reactivity

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).
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [5] ;  [5] ;  [5] ;  [5] ;  [1]
  1. Lund Univ. (Sweden). Division of Synchrotron Radiation Research
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Photon Science
  3. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  4. Chalmers Univ. of Technology, Goteborg (Sweden)
  5. Univ. of Florida, Gainesville, FL (United States). Dept. of Chemical Engineering
Publication Date:
Grant/Contract Number:
FG02-03ER15478
Type:
Accepted Manuscript
Journal Name:
Topics in Catalysis
Additional Journal Information:
Journal Volume: 60; Journal Issue: 6-7; Journal ID: ISSN 1022-5528
Publisher:
Springer
Research Org:
Univ. of Florida, Gainesville, FL (United States)
Sponsoring Org:
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.
Country of Publication:
United States
Language:
English
Subject:
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
OSTI Identifier:
1429487

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., and Merte, L. R.. Fe Oxides on Ag Surfaces: Structure and Reactivity. United States: N. p., Web. doi:10.1007/s11244-016-0714-8.
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.. Fe Oxides on Ag Surfaces: Structure and Reactivity. United States. doi:10.1007/s11244-016-0714-8.
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., and Merte, L. R.. 2016. "Fe Oxides on Ag Surfaces: Structure and Reactivity". United States. doi:10.1007/s11244-016-0714-8. https://www.osti.gov/servlets/purl/1429487.
@article{osti_1429487,
title = {Fe Oxides on Ag Surfaces: Structure and Reactivity},
author = {Shipilin, M. and Lundgren, E. and Gustafson, J. and Zhang, C. and Bertram, F. and Nicklin, C. and Heard, C. J. and Gronbeck, H. and Zhang, F. and Choi, J. and Mehar, V. and Weaver, J. F. and Merte, L. R.},
abstractNote = {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).},
doi = {10.1007/s11244-016-0714-8},
journal = {Topics in Catalysis},
number = 6-7,
volume = 60,
place = {United States},
year = {2016},
month = {9}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

The structure of monolayer films of FeO on Pt(111)
journal, December 1993

Ab initiomolecular dynamics for liquid metals
journal, January 1993

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

Special points for Brillouin-zone integrations
journal, June 1976
  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

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