IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v92y2019i2d10.1140_epjb_e2019-90485-3.html
   My bibliography  Save this article

Spontaneous spin polarization of methanol molecule adsorbed on B- or N-doped graphene: first-principles calculations

Author

Listed:
  • Xiuwen Zhao

    (School of Physics and Electronics, Shandong Normal University)

  • Bin Qiu

    (School of Physics and Electronics, Shandong Normal University)

  • Weiwei Yue

    (School of Physics and Electronics, Shandong Normal University
    Institute of Materials and Clean Energy, Shandong Normal University)

  • Guichao Hu

    (School of Physics and Electronics, Shandong Normal University)

  • Junfeng Ren

    (School of Physics and Electronics, Shandong Normal University
    Institute of Materials and Clean Energy, Shandong Normal University)

  • Xiaobo Yuan

    (School of Physics and Electronics, Shandong Normal University)

Abstract

Methanol molecule could be spontaneously spin polarized when it is adsorbed on graphene surface with B or N atoms even there is no magnetic elements in the whole systems. The p-orbital couplings between the methanol molecule and the graphene generate new spin coupling states, and the transferred charge from the graphene to the molecule will fill these spin nondegenerate states, which leads to obvious spontaneous spin polarization of the methanol molecule. Spin polarization of the methanol molecule will be the biggest when it is adsorbed on the top site of the graphene surface with N acting as anchor. Graphical abstract

Suggested Citation

  • Xiuwen Zhao & Bin Qiu & Weiwei Yue & Guichao Hu & Junfeng Ren & Xiaobo Yuan, 2019. "Spontaneous spin polarization of methanol molecule adsorbed on B- or N-doped graphene: first-principles calculations," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 92(2), pages 1-4, February.
    • Handle: RePEc:spr:eurphb:v:92:y:2019:i:2:d:10.1140_epjb_e2019-90485-3
    DOI: 10.1140/epjb/e2019-90485-3
    as

    Download full text from publisher

    File URL: http://link.springer.com/10.1140/epjb/e2019-90485-3
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1140/epjb/e2019-90485-3?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.

    More about this item

    Keywords

    Solid State and Materials;

    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:spr:eurphb:v:92:y:2019:i:2:d:10.1140_epjb_e2019-90485-3. 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: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    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.