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

TL;DR

This paper introduces a non-iterative, direct method using Kramers-Kronig relations for analyzing one-dimensional interphase structures via crystal truncation rod data, improving accuracy and avoiding common iterative issues.

Contribution

It presents a novel non-iterative approach for normalized crystal truncation rod analysis that enhances reliability over traditional iterative phase-retrieval methods.

Findings

Validated with numerical simulations and experiments on Pt (111) surfaces.

Demonstrated improved accuracy and robustness over iterative methods.

Identified limitations and applicability of the new method.

Abstract

A one-dimensional non-iterative direct method was employed for normalized crystal truncation rod. The non-iterative approach, utilizing Kramers-Kronig relation, avoids the ambiguities due to the improper initial model or the incomplete convergence in the conventional iterative methods. The validity and limitation of the present method are demonstrated through both numerical simulations and experiments with Pt (111) in 0.1 M CsF aqueous solution. The present method is compared to conventional iterative phase-retrieval methods.