Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH₄)₂.

ABSTRACT: The energetic transition towards renewable resources is one of the biggest challenges of this century. In this context, the role of H₂ is of paramount importance as a key source of energy that could substitute traditional fossil fuels. This technology, even if available in several manufactures, still needs to be optimized at all levels (production, storage and distribution) to be integrated on a larger scale. Among materials suitable to store H₂, Mg(BH₄)₂ is particularly interesting due to its high content of H₂ in terms of gravimetric density. Nanosizing effects and role of additives in the decomposition of Mg(BH₄)₂ were studied by density functional theory (DFT) modelling. Both effects were analyzed because of t

SUBMITTER: Pantaleone S 

PROVIDER: S-EPMC10877581 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature