Structural Refinement and Density Functional Theory Study of Synthetic Ge-Akaganéite (<i>β</i>-FeOOH)

In this study, we propose a revised structural model for highly ordered synthetic Ge-akagan&#233;ite, a stable analogue of tunnel-type Fe-oxyhydroxide, based on the Rietveld refinement of synchrotron X-ray diffraction data and density functional theory with dispersion correction (DFT-D) calculat...

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Bibliographic Details
Main Authors: Donghoon Chung, Changyun Park, Woohyun Choi, Yungoo Song
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/4/239