IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v106y2016icp131-136.html
   My bibliography  Save this article

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

Author

Listed:
  • Li, Kang-Ning
  • Yang, Chuan-Lu
  • Han, Yan-Xiao
  • Wang, Mei-Shan
  • Ma, Xiao-Guang
  • Wang, Li-Zhi

Abstract

Only one H atom is extracted from a single H2O molecule in a usual reaction for hydrogen generation. In this study, a three-step reaction has been identified for completely extracting H2 from H2O molecule with the catalysis of a small Al6Cu cluster, based on the first principles calculations. All the reactants, products, and transition states are determined by optimization calculation and confirmed by frequency analysis. The intrinsic reaction coordinate is also calculated to validate the reaction process. Results show that the whole reaction is an endothermic reaction. The charge distribution is used to understand the novel reaction. It is found that Al6Cu cluster can strongly capture H2O molecule and extract the H2 molecule completely, which may present a more efficient way to generate H2 from a single H2O molecule.

Suggested Citation

  • Li, Kang-Ning & Yang, Chuan-Lu & Han, Yan-Xiao & Wang, Mei-Shan & Ma, Xiao-Guang & Wang, Li-Zhi, 2016. "Generating H2 from a H2O molecule by catalysis using a small Al6Cu cluster," Energy, Elsevier, vol. 106(C), pages 131-136.
    • Handle: RePEc:eee:energy:v:106:y:2016:i:c:p:131-136
    DOI: 10.1016/j.energy.2016.03.027
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544216302717
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2016.03.027?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Ruban, Priya & Sellappa, Kanmani, 2014. "Development and performance of bench-scale reactor for the photocatalytic generation of hydrogen," Energy, Elsevier, vol. 73(C), pages 926-932.
    2. Orhan, Mehmet F. & Babu, Binish S., 2015. "Investigation of an integrated hydrogen production system based on nuclear and renewable energy sources: Comparative evaluation of hydrogen production options with a regenerative fuel cell system," Energy, Elsevier, vol. 88(C), pages 801-820.
    3. Zhao, Zhongwei & Chen, Xingyu & Hao, Mingming, 2011. "Hydrogen generation by splitting water with Al–Ca alloy," Energy, Elsevier, vol. 36(5), pages 2782-2787.
    4. Chai, Y.J. & Dong, Y.M. & Meng, H.X. & Jia, Y.Y. & Shen, J. & Huang, Y.M. & Wang, N., 2014. "Hydrogen generation by aluminum corrosion in cobalt (II) chloride and nickel (II) chloride aqueous solution," Energy, Elsevier, vol. 68(C), pages 204-209.
    5. Zou, Mei-Shuai & Huang, Hai-Tao & Sun, Qian & Guo, Xiao-Yan & Yang, Rong-Jie, 2014. "Effect of the storage environment on hydrogen production via hydrolysis reaction from activated Mg-based materials," Energy, Elsevier, vol. 76(C), pages 673-678.
    6. Liu, Yongan & Wang, Xinhua & Liu, Haizhen & Dong, Zhaohui & Li, Shouquan & Ge, Hongwei & Yan, Mi, 2014. "Improved hydrogen generation from the hydrolysis of aluminum ball milled with hydride," Energy, Elsevier, vol. 72(C), pages 421-426.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Xiao, Fei & Yang, Rongjie & Li, Jianmin, 2019. "Hydrogen generation from hydrolysis of activated aluminum/organic fluoride/bismuth composites with high hydrogen generation rate and good aging resistance in air," Energy, Elsevier, vol. 170(C), pages 159-169.
    2. Yang, Weijuan & Zhang, Tianyou & Liu, Jianzhong & Wang, Zhihua & Zhou, Junhu & Cen, Kefa, 2015. "Experimental researches on hydrogen generation by aluminum with adding lithium at high temperature," Energy, Elsevier, vol. 93(P1), pages 451-457.
    3. Xiao, Fei & Guo, Yanpei & Li, Jianmin & Yang, Rongjie, 2018. "Hydrogen generation from hydrolysis of activated aluminum composites in tap water," Energy, Elsevier, vol. 157(C), pages 608-614.
    4. Zou, Mei-Shuai & Huang, Hai-Tao & Sun, Qian & Guo, Xiao-Yan & Yang, Rong-Jie, 2014. "Effect of the storage environment on hydrogen production via hydrolysis reaction from activated Mg-based materials," Energy, Elsevier, vol. 76(C), pages 673-678.
    5. Wang, Hongqi & Wang, Zhi & Shi, Zhihao & Gong, Xuzhong & Cao, Jianwei & Wang, Mingyong, 2017. "Facile hydrogen production from Al-water reaction promoted by choline hydroxide," Energy, Elsevier, vol. 131(C), pages 98-105.
    6. Yang, Weijuan & Zhang, Tianyou & Zhou, Junhu & Shi, Wei & Liu, Jianzhong & Cen, Kefa, 2015. "Experimental study on the effect of low melting point metal additives on hydrogen production in the aluminum–water reaction," Energy, Elsevier, vol. 88(C), pages 537-543.
    7. Su, Ming & Hu, Haiping & Gan, Jianchang & Ye, Wenhua & Zhang, Wenhua & Wang, Huihu, 2021. "Thermodynamics, kinetics and reaction mechanism of hydrogen production from a novel Al alloy/NaCl/g-C3N4 composite by low temperature hydrolysis," Energy, Elsevier, vol. 218(C).
    8. Liang, J. & Gao, L.J. & Miao, N.N. & Chai, Y.J. & Wang, N. & Song, X.Q., 2016. "Hydrogen generation by reaction of Al–M (M = Fe,Co,Ni) with water," Energy, Elsevier, vol. 113(C), pages 282-287.
    9. Sun, Qian & Zou, Meishuai & Guo, Xiaoyan & Yang, Rongjie & Huang, Haitao & Huang, Peng & He, Xiangdong, 2015. "A study of hydrogen generation by reaction of an activated Mg–CoCl2 (magnesium–cobalt chloride) composite with pure water for portable applications," Energy, Elsevier, vol. 79(C), pages 310-314.
    10. Benim, Ali Cemal & Pfeiffelmann, Björn & Ocłoń, Paweł & Taler, Jan, 2019. "Computational investigation of a lifted hydrogen flame with LES and FGM," Energy, Elsevier, vol. 173(C), pages 1172-1181.
    11. Sun, Zuo-Yu & Li, Guo-Xiu, 2016. "Propagation characteristics of laminar spherical flames within homogeneous hydrogen-air mixtures," Energy, Elsevier, vol. 116(P1), pages 116-127.
    12. Chai, Y.J. & Dong, Y.M. & Meng, H.X. & Jia, Y.Y. & Shen, J. & Huang, Y.M. & Wang, N., 2014. "Hydrogen generation by aluminum corrosion in cobalt (II) chloride and nickel (II) chloride aqueous solution," Energy, Elsevier, vol. 68(C), pages 204-209.
    13. Wenelska, Karolina & Michalkiewicz, Beata & Chen, Xuecheng & Mijowska, Ewa, 2014. "Pd nanoparticles with tunable diameter deposited on carbon nanotubes with enhanced hydrogen storage capacity," Energy, Elsevier, vol. 75(C), pages 549-554.
    14. Loghmani, Mohammad Hassan & Shojaei, Abdollah Fallah, 2014. "Hydrogen production through hydrolysis of sodium borohydride: Oleic acid stabilized Co–La–Zr–B nanoparticle as a novel catalyst," Energy, Elsevier, vol. 68(C), pages 152-159.
    15. Wu, Liang & He, Yuehui & Lei, Ting & Nan, Bo & Xu, Nanping & Zou, Jin & Huang, Baiyun & Liu, C.T., 2014. "The stability of hydrogen evolution activity and corrosion behavior of porous Ni3Al–Mo electrode in alkaline solution during long-term electrolysis," Energy, Elsevier, vol. 67(C), pages 19-26.
    16. Ensafi, Ali A. & Jafari-Asl, Mehdi & Nabiyan, Afshin & Rezaei, Behzad & Dinari, Mohammad, 2016. "Hydrogen storage in hybrid of layered double hydroxides/reduced graphene oxide using spillover mechanism," Energy, Elsevier, vol. 99(C), pages 103-114.
    17. Liu, Yongan & Wang, Xinhua & Liu, Haizhen & Dong, Zhaohui & Cao, Guozhou & Yan, Mi, 2014. "Hydrogen generation from Mg–LiBH4 hydrolysis improved by AlCl3 addition," Energy, Elsevier, vol. 68(C), pages 548-554.
    18. AlZahrani, Abdullah A. & Dincer, Ibrahim, 2022. "Assessment of a thin-electrolyte solid oxide cell for hydrogen production," Energy, Elsevier, vol. 243(C).
    19. Xiao, Peng & Lee, Chia-fon & Wu, Han & Akram, M Zuhaib & Liu, Fushui, 2019. "Impacts of hydrogen-addition on methanol-air laminar burning coupled with pressures variation effects," Energy, Elsevier, vol. 187(C).
    20. Liu, Yongan & Wang, Xinhua & Liu, Haizhen & Dong, Zhaohui & Li, Shouquan & Ge, Hongwei & Yan, Mi, 2015. "Effect of salts addition on the hydrogen generation of Al–LiH composite elaborated by ball milling," Energy, Elsevier, vol. 89(C), pages 907-913.

    More about this item

    Keywords

    H2 generation; H2O molecule; Al6Cu cluster; Catalysis;
    All these keywords.

    JEL classification:

    • H2 - Public Economics - - Taxation, Subsidies, and Revenue

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:106:y:2016:i:c:p:131-136. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.