IDEAS home Printed from https://ideas.repec.org/a/wsi/srlxxx/v24y2017i05ns0218625x17500676.html
   My bibliography  Save this article

Enhancement Effect Of Lithium-Doping Functionalization On Hydrogen Adsorption In Metal-Organic Framework

Author

Listed:
  • LIANGZHI XIA

    (School of Chemical Machinery & Safety, Dalian University of Technology, Dalian 116024, P. R. China)

  • QING LIU

    (School of Chemical Machinery & Safety, Dalian University of Technology, Dalian 116024, P. R. China)

  • FENGLING WANG

    (School of Chemical Machinery & Safety, Dalian University of Technology, Dalian 116024, P. R. China)

  • YUPENG LI

    (#x2020;Dalian Marine Environmental Monitoring Center Station, Beihai Branch of the State Oceanic Administration, Dalian 116024, P. R. China)

Abstract

Grand canonical Monte-Carlo simulation was carried out to study the effect of linker functionalization by Li atoms. In this work, two new Li-doping structures, MOF-808-Li and MOF-808-OLi were theoretically constructed by physical modification and chemical modification, respectively. The results show that both these methods can improve the hydrogen storage performance significantly, owing to the Li atoms increasing the interaction energy between the hydrogen molecules and the Li-doped MOF-808. Furthermore, MOF-808-OLi shows higher hydrogen capacity in comparison to the H2 adsorption in the MOF-808-Li, this can be attributed to the new adsorption sites created by oxygen atom. The gravimetric adsorption capacity of MOF-808-OLi can reach 3.17wt.% at 77K and 1bar, which are significantly higher than the hydrogen adsorption in the unmodified MOF-808.

Suggested Citation

  • Liangzhi Xia & Qing Liu & Fengling Wang & Yupeng Li, 2017. "Enhancement Effect Of Lithium-Doping Functionalization On Hydrogen Adsorption In Metal-Organic Framework," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 24(05), pages 1-6, July.
    • Handle: RePEc:wsi:srlxxx:v:24:y:2017:i:05:n:s0218625x17500676
    DOI: 10.1142/S0218625X17500676
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0218625X17500676
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0218625X17500676?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.

    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:wsi:srlxxx:v:24:y:2017:i:05:n:s0218625x17500676. 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.

    We have no bibliographic references for this item. You can help adding them by using 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: Tai Tone Lim (email available below). General contact details of provider: http://www.worldscinet.com/srl/srl.shtml .

    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.