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Direct determination of one‐dimensional interphase structures using normalized crystal truncation rod analysis
Author(s) -
Kawaguchi Tomoya,
Liu Yihua,
Reiter Anthony,
Cammarota Christian,
Pierce Michael S.,
You Hoydoo
Publication year - 2018
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576718004326
Subject(s) - truncation (statistics) , iterative method , interphase , convergence (economics) , mathematics , aqueous solution , crystal (programming language) , algorithm , materials science , computer science , mathematical analysis , chemistry , statistics , genetics , economics , biology , programming language , economic growth
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.