Mechanisms of H2 generation for metal doped Al16M (M = Mg and Bi) clusters in water |
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| Authors: | Fen Li Lixian Sun Jijun Zhao Fen Xu Huai-Ying Zhou Qing-Ming Zhang Feng-Lei Huang |
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| Affiliation: | 1. Materials and Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Dalian 116023, China;2. Faculty of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004, China;3. College of Advanced Science and Technology, Dalian University of Technology, 116024, China;4. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China |
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| Abstract: | We have systematically investigated the hydrolysis mechanism of metal doped Al16M (M = Al, Mg and Bi) clusters with H2O molecules and proposed a reasonable elucidation for the experimentally observed fast H2 generation rate and high H2 yield in the Al–Bi based composite. Mg and Bi showed negative effect on the dissociation process of the first H2O molecule, but accelerated further H2 generation process. The investigation of persistent hydrolysis reactions demonstrated that the proton-transfer way makes the aluminum–water reaction a lasting process in the long-term H2 generation in existence of Bi atom, which explains not only the previously observed fast H2 generation rate but also high H2 yields in the Bi added Al powder. Our experimental results of hydrogen generation form Al–Bi (Mg) mixture and water are in good agreement with the theory prediction. The facilitated hydrolysis reaction in Al16Bi cluster is attributed to the weakened hydroxide adsorption with the presence of Bi in the aluminum cluster, which is the key factor to accelerate the proton-transfer process. |
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| Keywords: | Al17 cluster Metal doping H2 production |
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