4.7 Article

Remarkable low-temperature dehydration kinetics of rare-earth-ion-doped Ca(OH)2 for thermochemical energy storage

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CHEMICAL ENGINEERING JOURNAL
卷 478, 期 -, 页码 -

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ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2023.147475

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Thermal energy storage; Calcium hydroxide; Density functional theory; Doping; Kinetics

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Rare-earth-ion-doped Ca(OH)(2) materials can lower the dehydration temperature, and have higher dehydration rate and stability, making them suitable for stable high-density solar thermal energy storage.
Thermochemical energy storage based on dehydration-hydration of Ca(OH)(2)/CaO reversible reaction is considered a promising strategy to address the intermittency of solar thermal energy due to its extremely high storage density, possibility of seasonal heat storage, and low cost. However, conventionally-used Ca(OH)(2) particles suffer from instabilities and poor multi-cycle performance at high temperature, which limits their applications. Here, we propose rare-earth-ion-doped Ca(OH)(2) materials for thermochemical energy storage at reduced dehydration temperature through extensive DFT computational screening. Rare-earth elements, Sc, Y, La, Gd and Lu, -doped Ca(OH)(2) exhibit lower decomposition barrier in comparison to the Ca(OH)(2) without doping. The Sc-doped Ca(OH)(2) shows the significantly reduced onset temperature of similar to 326 degrees C, which is 50 degrees C lower than that of the pure Ca(OH)(2). Importantly, more than 3-fold increase in the dehydration rate and excellent stability during multi-cycles of the compositions at 320 degrees C is reached by the doping of Sc or Y into Ca(OH)(2). The working performance makes this material a practical alternative to realize stable high-density solar thermal energy storage.

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