Abstract:a manganese hydride molecular sieve which, if incorporated into a hydrogen storage system, has sufficient performance to realise the DOE system targets for H2 storage and delivery. KMH-1 is amorphous and paramagnetic, making its characterization challenging, and how it is formed from its simple Mn(II) organometallic precursors is not fully understood. In this contribution, we explore computationally several series of reactions that could occur in the production of KMH-1 from bis(trimethylsilylmethyl) manganese… Show more
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