Journal Article

FZJ-2026-03151

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Proton Substructure and Conductivity of the Room-Temperature Proton Conductors $Zr_{1−x}Sc_xH_{5+x}(PO_4)_3$

Gronych, L. M. ; Kondek, J. ; Kraft, M.FZJ* ; Martinez de Irujo Labalde, X. ; Glikman, D. ; Newnham, J. A. ; Li, C. ; Faka, V. ; Stepaniuk, D. ; Baran, V. ; Braunschweig, B. ; Mollenhauer, D. ; Hansen, M. R. ; Zeier, W. (Corresponding author)FZJ*

2026
ACS Publications Washington, DC

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Please use a persistent id in citations: doi:10.1021/acsaem.6c00368  doi:10.34734/FZJ-2026-03151

Abstract: Solid proton conductors are an important materials class when it comes to the further development of hydrogen-based devices for energy generation and storage. These applications make it essential to get high proton conductivity and stability at around 25 °C without the need for additional humidification. The proton conductor zirconium acid triphosphate ($ZrH_5(PO_4)_3$) has been shown to meet these requirements and is therefore of interest. In this work, we present a systematic study of Sc-substituted $Zr_{1−x}Sc_xH_{5+x}(PO_4)_3$ samples in the range of 0 ≤ x ≤ 1. The structure and proton transport properties are investigated by neutron powder and X-ray diffraction data, second-harmonic generation measurements, nuclear magnetic resonance, and impedance spectroscopy. The obtained results provide a better understanding of the $H^+$ network in $ZrH_5(PO_4)_3$, implying a disordered arrangement. This is not observed in $ScH_6(PO_4)_3$, which, in contrast to $ZrH_5(PO_4)_3$ with $1.7(4)$ $mS cm^{−1}$ at 25 °C, has a significantly lower proton conductivity of $3.1(6)×10^{−4}$ $mS cm^{−1}$. The aim of this work is to give deeper insight into the structure−property relationship of this class of proton conductors to contribute to the further development of materials.

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Contributing Institute(s):

1. Helmholtz-Institut Münster Ionenleiter für Energiespeicher (IMD-4)

Research Program(s):

1. 1221 - Fundamentals and Materials (POF4-122) (POF4-122)

Appears in the scientific report 2026

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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