Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1652453

Materials Data on Nd(ClO)3 by Materials Project

View original source ↗Read source document ↗Export metadata ↓

Abstract

NdOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four oxygen molecules and two NdOCl3 sheets oriented in the (0, 0, 1) direction. In each NdOCl3 sheet, Nd is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.33 Å) and one longer (2.37 Å) Nd–O bond lengths. There are a spread of Nd–Cl bond distances ranging from 2.64–2.92 Å. O is bonded in a bent 150 degrees geometry to two equivalent Nd atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Nd atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Nd atom.

Explore related subjects

36 MATERIALS SCIENCECl-Nd-Ocrystal structureNd(ClO)3

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

2020-04-30. Materials Data on Nd(ClO)3 by Materials Project. https://doi.org/10.17188/1652453

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

DOE OSTI2026

Cyclic moisture reactivation of calcium sorbents for long duration thermochemical energy storage

The transition to a flexible and reliable energy infrastructure, using electro-thermal energy generation technologies such as geothermal, concentrated solar power, and nuclear, usually demands simultaneous advancement of thermal energy storage (TES) to support on-demand electricity generation and industrial applications while mitigating the inherent intermittency of renewable energy sources and power outages from direct energy generation. Among TES technologies, thermochemical energy storage (TCES) based on calcium looping emerges as a compelling high-power energy storage candidate due to its high reaction enthalpy, compatibility with elevated operating temperatures, and abundance of low-cost materials. However, the long-term durability of calcium-based sorbents for TCES is hindered by surface sintering and particle aggregation, leading to performance degradation over repeated thermal cycles. This study explores a moisture hydration-based strategy to regenerate a degraded calcium sorbent and mitigate performance degradation for long duration TCES. The addition of moisture transforms calcium oxide into calcium hydroxide and produces intercalation water layers, associated with a regenerated surface area and reduced calcium oxide crystallite size. Both these effects are beneficial in restoring the sorbents' reactivity for carbonization. Additionally, an optimized hydration-assisted reactivation protocol balances the recovered energy storage capacity with heating penalty required for moisture removal from hydrated samples, resulting in an enhanced energy storage capacity up to 176% compared to benchmark sorbents that undergo cycling without reactivation after 60 cycles. In conclusion, these results highlight the potential of hydration-assisted reactivation to enhance the long-term performance of TCES, providing an effective pathway to advancing electro-thermal storage technologies.

36 MATERIALS SCIENCE↗