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DOE OSTI2020

Materials Data on NdCl2 by Materials Project

NdCl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.83–2.92 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Nd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Nd2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdCl2 by Materials Project

NdCl2 is trigonal omega-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing NdCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two shorter (2.84 Å) and four longer (2.86 Å) Nd–Cl bond lengths. Cl1- is bonded in a 3-coordinate geometry to three equivalent Nd2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Challenges in selecting appropriate electrodes for high-temperature molten salt systems

Based on a specific molten salt (e.g., chloride, fluoride, iodide) investigated, different working and reference electrode materials can be selected considering the chemical and thermal stability of the electrochemical cell components. In this talk, the electrode materials and challenges encountered with a spectro-electrochemical setup installed inside a glovebox, and the solutions implemented to address these challenges, specifically for the chloride and iodide molten salts will be presented. For molten chlorides, the fundamental interactions between neodymium chloride (NdCl3) and Nd metal in lithium chloride-potassium chloride eutectic salt were investigated at 773 K. The electrochemical transitions Nd2+,3+/Nd(s) were analyzed using an inert W electrode with cyclic voltammetry and chronoamperometry techniques, coupled with in-situ UV-Vis spectroscopy to elucidate the kinetic pathways of this disproportionation reaction (eq. 1). Nd(s) + NdCl3 = NdCl2 (1) For molten iodides, the challenges related to working electrode selectivity and present spectro-electrochemical results obtained from cyclic voltammetry measurements conducted at 673 K will be discussed.

36 - MATERIALS SCIENCE↗