Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

doi:10.1107/S1600576718004326

Title: 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:

^[1]; Liu, Yihua ^[1]; Reiter, Anthony ^[2]; Cammarota, Christian ^[2];

^[2];

^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)
Rochester Institute of Technology, Rochester, NY (United States)

Publication Date:: 2018-04-20

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.

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                    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.

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                    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.

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@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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DOI: 10.1107/S1600576718004326

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Title: Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

Abstract

Citation Formats

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

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Direct methods for surface crystallography journal, July 2008

Atomic imaging of thin films with surface x-ray diffraction: introducing DCAF journal, October 2008

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New analytical scattering-factor functions for free atoms and ions journal, May 1995

Atomic imaging and direct phase retrieval using anomalous surface x-ray diffraction journal, June 2012

YBa 2 Cu 3 O 7 / La 0.7 Ca 0.3 MnO 3 bilayers: Interface coupling and electric transport properties journal, December 2010

Kramers-Kronig analysis of reflection data journal, August 1965

Layering and Ordering in Electrochemical Double Layers journal, February 2018

On the origin of frequency dispersion at the interface between mercury electrode and aqueous solutions of alkali halides journal, March 2013

Extending the methodology of X-ray crystallography to allow imaging of micrometre-sized non-crystalline specimens journal, July 1999

Oxidation-reduction-induced roughening of platinum (1 1 1) surface journal, April 1994

Revisit to diffraction anomalous fine structure journal, October 2014

Voltage-dependent ordering of water molecules at an electrode–electrolyte interface journal, March 1994

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Phase behavior of the Au(111) surface: Discommensurations and kinks journal, December 1990

Computer simulation of the structure of the electrochemical double layer journal, June 1998

Applications of surface X-ray scattering to electrochemistry problems journal, July 2002

Phase retrieval algorithms: a comparison journal, January 1982

What Are Batteries, Fuel Cells, and Supercapacitors? journal, October 2004

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

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Atomic imaging of thin films with surface x-ray diffraction: introducing DCAF
journal, October 2008

Site- and phase-selective x-ray absorption spectroscopy based on phase-retrieval calculation
journal, February 2017

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journal, May 1995

Atomic imaging and direct phase retrieval using anomalous surface x-ray diffraction
journal, June 2012

${YBa}_{2} {Cu}_{3} O_{7} / {La}_{0.7} {Ca}_{0.3} {MnO}_{3}$ bilayers: Interface coupling and electric transport properties
journal, December 2010

Kramers-Kronig analysis of reflection data
journal, August 1965

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journal, February 2018

On the origin of frequency dispersion at the interface between mercury electrode and aqueous solutions of alkali halides
journal, March 2013

Extending the methodology of X-ray crystallography to allow imaging of micrometre-sized non-crystalline specimens
journal, July 1999

Oxidation-reduction-induced roughening of platinum (1 1 1) surface
journal, April 1994

Revisit to diffraction anomalous fine structure
journal, October 2014

Voltage-dependent ordering of water molecules at an electrode–electrolyte interface
journal, March 1994

In‐situ x‐ray reflectivity study of incipient oxidation of Pt(111) surface in electrolyte solutions
journal, March 1994

Phase behavior of the Au(111) surface: Discommensurations and kinks
journal, December 1990

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journal, June 1998

Applications of surface X-ray scattering to electrochemistry problems
journal, July 2002

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