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Extraction of H2 from H2O molecule using a small Al6Si cluster

Kang-Ning Li - No affiliation found

2016/10/26 Full-length article DOI: 10.1016/j.ijhydene.2016.08.080 Journal: International Journal of Hydrogen Energy

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.