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Calcium Borohydride Ca(BH 4 ) 2 : Fundamentals, Prediction and Probing for High-Capacity Energy Storage Applications, Organic Synthesis and Catalysis

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  • Cezar Comanescu

    (National Institute of Materials Physics, Atomistilor 405A, 077125 Magurele, Romania)

Abstract

Calcium borohydride (Ca(BH 4 ) 2 ) is a complex hydride that has been less investigated compared to its lighter counterpart, magnesium borohydride. While offering slightly lower hydrogen storage capacity (11.5 wt% theoretical maximum, 9.6 wt% under actual dehydrogenation conditions), there are many improvement avenues for maximizing the reversible hydrogen storage that have been explored recently, from DFT calculations and polymorph investigations to reactive hydride composites (RHCs) and catalytic and nanosizing effects. The stability of Ca(BH 4 ) 2 , the possibility of regeneration from spent products, and the relatively mild dehydrogenation conditions make calcium borohydride an attractive compound for hydrogen storage purposes. The ionic conductivity enhancements brought about by the rich speciation of borohydride anions can extend the use of Ca(BH 4 ) 2 to battery applications, considering the abundance of Ca relative to alkali metal borohydrides typically used for this purpose. The current work aims to review the synthetic strategies, structural considerations of various polymorphs and adducts, and hydrogen storage capacity of composites based on calcium borohydrides and related complex hydrides (mixed anions, mixed cations, additives, catalysts, etc.). Additional applications related to batteries, organic and organometallic chemistry, and catalysis have been briefly described.

Suggested Citation

  • Cezar Comanescu, 2023. "Calcium Borohydride Ca(BH 4 ) 2 : Fundamentals, Prediction and Probing for High-Capacity Energy Storage Applications, Organic Synthesis and Catalysis," Energies, MDPI, vol. 16(11), pages 1-34, June.
    • Handle: RePEc:gam:jeners:v:16:y:2023:i:11:p:4536-:d:1164522
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    1. Cai, Weitong & Hou, Jianming & Huang, Shiyong & Chen, Juner & Yang, Yuanzheng & Tao, Pingjun & Ouyang, Liuzhang & Wang, Hui & Yang, Xusheng, 2019. "Altering the chemical state of boron towards the facile synthesis of LiBH4 via hydrogenating lithium compound-metal boride mixture," Renewable Energy, Elsevier, vol. 134(C), pages 235-240.
    2. Carlos A. Castilla-Martinez & Romain Moury & Salem Ould-Amara & Umit B. Demirci, 2021. "Destabilization of Boron-Based Compounds for Hydrogen Storage in the Solid-State: Recent Advances," Energies, MDPI, vol. 14(21), pages 1-50, October.
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