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

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 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

Authors:

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

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

Publication Date:: 2018-04-20

Grant/Contract Number:: AC02-06CH11357

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

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

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal truncation rods; interfaces; direct inversion; phase retrieval; double layers

OSTI Identifier:: 1440761


                    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.,  
        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. 2018.  
        "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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Free Publicly Accessible Full Text
Accepted Manuscript (DOE)
Publisher's Version of Record
10.1107/S1600576718004326
https://doi.org/10.1107/S1600576718004326

Works referenced in this record:

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

Winter, Martin; Brodd, Ralph J.
Chemical Reviews, Vol. 104, Issue 10, p. 4245-4270
DOI: 10.1021/cr020730k

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

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