Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis
Abstract
Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Rochester Institute of Technology, Rochester, NY (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; Research Corporation for Science Advancement
- OSTI Identifier:
- 1440761
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Crystallography (Online)
- Additional Journal Information:
- Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 51; Journal Issue: 3; Journal ID: ISSN 1600-5767
- Publisher:
- International Union of Crystallography
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal truncation rods; interfaces; direct inversion; phase retrieval; double layers
Citation Formats
Kawaguchi, Tomoya, Liu, Yihua, Reiter, Anthony, Cammarota, Christian, Pierce, Michael S., and You, Hoydoo. Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis. United States: N. p., 2018.
Web. doi:10.1107/S1600576718004326.
Kawaguchi, Tomoya, Liu, Yihua, Reiter, Anthony, Cammarota, Christian, Pierce, Michael S., & You, Hoydoo. Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis. United States. doi:10.1107/S1600576718004326.
Kawaguchi, Tomoya, Liu, Yihua, Reiter, Anthony, Cammarota, Christian, Pierce, Michael S., and You, Hoydoo. Fri .
"Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis". United States. doi:10.1107/S1600576718004326. https://www.osti.gov/servlets/purl/1440761.
@article{osti_1440761,
title = {Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis},
author = {Kawaguchi, Tomoya and Liu, Yihua and Reiter, Anthony and Cammarota, Christian and Pierce, Michael S. and You, Hoydoo},
abstractNote = {Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.},
doi = {10.1107/S1600576718004326},
journal = {Journal of Applied Crystallography (Online)},
number = 3,
volume = 51,
place = {United States},
year = {2018},
month = {4}
}
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Works referenced in this record:
Phase and amplitude recovery and diffraction image generation method: structure of Sb/Au(110)–√3 × √3R54.7° from surface X-ray diffraction
journal, April 2007
- Fung, R.; Shneerson, V. L.; Lyman, P. F.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 63, Issue 3
Direct structure determination of systems with two-dimensional periodicity
journal, May 2000
- Yacoby, Y.; Pindak, R.; MacHarrie, R.
- Journal of Physics: Condensed Matter, Vol. 12, Issue 17
Zero charge potentials of platinum metals and electron work functions (Review)
journal, May 2013
- Petrii, O. A.
- Russian Journal of Electrochemistry, Vol. 49, Issue 5
Direct methods for surface crystallography
journal, July 2008
- Saldin, D. K.; Shneerson, V. L.
- Journal of Physics: Condensed Matter, Vol. 20, Issue 30
Atomic imaging of thin films with surface x-ray diffraction: introducing DCAF
journal, October 2008
- Björck, M.; Schlepütz, C. M.; Pauli, S. A.
- Journal of Physics: Condensed Matter, Vol. 20, Issue 44
Site- and phase-selective x-ray absorption spectroscopy based on phase-retrieval calculation
journal, February 2017
- Kawaguchi, Tomoya; Fukuda, Katsutoshi; Matsubara, Eiichiro
- Journal of Physics: Condensed Matter, Vol. 29, Issue 11
New analytical scattering-factor functions for free atoms and ions
journal, May 1995
- Waasmaier, D.; Kirfel, A.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 51, Issue 3
Atomic imaging and direct phase retrieval using anomalous surface x-ray diffraction
journal, June 2012
- Pauli, S. A.; Leake, S. J.; Björck, M.
- Journal of Physics: Condensed Matter, Vol. 24, Issue 30
bilayers: Interface coupling and electric transport properties
journal, December 2010
- Werner, R.; Raisch, C.; Ruosi, A.
- Physical Review B, Vol. 82, Issue 22
Kramers-Kronig analysis of reflection data
journal, August 1965
- Roessler, D. M.
- British Journal of Applied Physics, Vol. 16, Issue 8
Layering and Ordering in Electrochemical Double Layers
journal, February 2018
- Liu, Yihua; Kawaguchi, Tomoya; Pierce, Michael S.
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 6
On the origin of frequency dispersion at the interface between mercury electrode and aqueous solutions of alkali halides
journal, March 2013
- Anastopoulos, A. G.; Papaderakis, A. A.
- Russian Journal of Electrochemistry, Vol. 50, Issue 1
Extending the methodology of X-ray crystallography to allow imaging of micrometre-sized non-crystalline specimens
journal, July 1999
- Miao, Jianwei; Charalambous, Pambos; Kirz, Janos
- Nature, Vol. 400, Issue 6742
Oxidation-reduction-induced roughening of platinum (1 1 1) surface
journal, April 1994
- You, H.; Nagy, Z.
- Physica B: Condensed Matter, Vol. 198, Issue 1-3
Revisit to diffraction anomalous fine structure
journal, October 2014
- Kawaguchi, T.; Fukuda, K.; Tokuda, K.
- Journal of Synchrotron Radiation, Vol. 21, Issue 6
Voltage-dependent ordering of water molecules at an electrode–electrolyte interface
journal, March 1994
- Toney, Michael F.; Howard, Jason N.; Richer, Jocelyn
- Nature, Vol. 368, Issue 6470
In‐situ x‐ray reflectivity study of incipient oxidation of Pt(111) surface in electrolyte solutions
journal, March 1994
- You, H.; Zurawski, D. J.; Nagy, Z.
- The Journal of Chemical Physics, Vol. 100, Issue 6
Phase behavior of the Au(111) surface: Discommensurations and kinks
journal, December 1990
- Huang, K. G.; Gibbs, Doon; Zehner, D. M.
- Physical Review Letters, Vol. 65, Issue 26
Computer simulation of the structure of the electrochemical double layer
journal, June 1998
- Spohr, E.
- Journal of Electroanalytical Chemistry, Vol. 450, Issue 2
Applications of surface X-ray scattering to electrochemistry problems
journal, July 2002
- Nagy, Zoltán; You, Hoydoo
- Electrochimica Acta, Vol. 47, Issue 19
Phase retrieval algorithms: a comparison
journal, January 1982
- Fienup, J. R.
- Applied Optics, Vol. 21, Issue 15
What Are Batteries, Fuel Cells, and Supercapacitors?
journal, October 2004
- Winter, Martin; Brodd, Ralph J.
- Chemical Reviews, Vol. 104, Issue 10, p. 4245-4270