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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:
ORCiD logo [1] ;  [1] ;  [2] ;  [2] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Rochester Institute of Technology, Rochester, NY (United States)
Publication Date:
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.
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. 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.
@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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