Calcium Borohydride Ca(BH4)2: Fundamentals, Prediction and Probing for High-Capacity Energy Storage Applications, Organic Synthesis and Catalysis

Calcium borohydride (Ca(BH4)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 under actual dehydrogenation conditions), there are many improvement avenues for maximizing the reversible have explored recently, from DFT calculations and polymorph investigations reactive composites (RHCs) catalytic nanosizing effects. The stability of Ca(BH4)2, possibility regeneration spent products, relatively mild conditions make calcium an attractive compound purposes. ionic conductivity enhancements brought about by rich speciation anions can extend use Ca(BH4)2 battery applications, considering abundance Ca relative alkali metal borohydrides typically used this purpose. current work aims review synthetic strategies, structural considerations various polymorphs adducts, based on related hydrides (mixed anions, mixed cations, additives, catalysts, etc.). Additional applications batteries, organic organometallic chemistry, catalysis briefly described.