Extraction of H2 from H2O molecule using a small Al6Si cluster
Review articleOpen access
Abstract:

Highlights•An efficient method to generate and storage of H2 from H2O molecule is identified.•H2 molecule can be extracted from H2O molecule with cluster Al6Si.•The intrinsic reaction coordinate is calculated to validate the reaction process.•The whole reaction can be triggered with overcoming a barrier of 0.1448 eV.

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