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Chemistry on Single Atoms: Spontaneous Hydrogen Production from Reactions of Transition-Metal Atoms with Methanol at Cryogenic Temperatures

Authors

  • Guanjun Wang,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433 (China), Fax: (+86) 21-6564-3532
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  • Jing Su,

    1. Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084 (China), Fax: (+86) 10-6279-7472
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  • Yu Gong,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433 (China), Fax: (+86) 21-6564-3532
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  • Mingfei Zhou Prof. Dr.,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433 (China), Fax: (+86) 21-6564-3532
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  • Jun Li Prof. Dr.

    1. Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084 (China), Fax: (+86) 10-6279-7472
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  • This work was supported by NKBRSF (2007CB815203 and 2010CB732306) and NSFC (20773030, 20525104, and 20933003). The calculations were performed using an HP Itanium2 cluster at Tsinghua National Laboratory for Information Science and Technology and Shanghai Supercomputing Center.

Abstract

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Implications for methanol fuel cells: In reactions of ground-state early-transition-metal atoms with methanol in an argon matrix, dihydrogen and methoxide salts M(OMe)2 (M=Sc, Ti, V, Nb) form through spontaneous replacement reactions. This work demonstrates that hydrogen can be directly produced from the reactions of ground-state metal atoms with methanol even at cryogenic temperatures.

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