Generating H2 from a H2O molecule by catalysis using a small Al6Cu cluster
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文摘

More efficient method to generate H2 from H2O molecule is investigated.

Extract H2 molecule from H2O molecule with cluster Al6Cu.

Intrinsic reaction coordinate is calculated to validate the reaction process.

Total energy to trigger the whole reaction and to release a free H2 molecule is 1.3321 eV.

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