Wednesday, July 10, 2013

Build Graphene with Material Studio

Build Graphene with Material Studio
 
1) File -> Import -> Structures -> ceramics -> graphite.msi;
2) Build -> Symmetry -> Make P1;
3) Remove one of the two layers;
4) Build -> Symmetry -> Find Symmetry -> Impose Symmetry;
5) Build -> Symmetry -> Supercell 2*2*2;
6) Build -> Crystals -> Rebuild Crystal -> Lattice Parameters -> a=4.26, b=2.46, c=25, alpha=beta=gamma=90 -> Rebuild;
7) Build -> Symmetry -> Supercell 5*5*1.
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17 comments:

  1. WoleswordAugust 18, 2013 at 12:08 PM

    Hi Kater, nice example! I also wanted to ask if you know how to solve a problem i hav with msi2lmp.exe. During conversion it complains about its inability to find my force fields and atoms.

    Cheers
    DJ

    ReplyDelete
  2. KatterAugust 28, 2013 at 10:03 PM

    msi2lmp prefer cvff force field, however it still can not find correct force field parameters, if the materials (atoms) are not common one (like C, H, O).

    Normally, i only use this tool to get atom positions (like X, Y, Z). It's enough for me, since i get force fields and parameters from other way.

    ReplyDelete
  3. UnknownSeptember 18, 2014 at 7:54 PM

    Thanks Kater,
    How can Ab stacking multilayer can be built?

    ReplyDelete
    Replies
    1. KatterAugust 10, 2016 at 11:28 PM

      After the Step 2, u can get the AB stacking 2 layers automatically.

      Delete
  4. UnknownSeptember 29, 2015 at 4:36 AM

    How can i build graphene oxide using material studio?

    ReplyDelete
    Replies
    1. KatterNovember 12, 2015 at 10:36 PM

      i always do it manually. Add some oxygen atoms on the graphene surface, and build bond between O-C.

      Delete
  5. The None of MeDecember 5, 2015 at 9:24 AM

    Hi!
    I'd like to know, do u guys have experiences using adsorption locator in Materials Studio 8? I cannot run my adsorption because there is no "add atoms" button in Adsorption Locator Module window. any suggestion? thanks.

    ReplyDelete
  6. The None of MeDecember 5, 2015 at 9:25 AM

    Hi!
    I'd like to know, do u guys have experiences using adsorption locator in Materials Studio 8? I cannot run my adsorption because there is no "add atoms" button in Adsorption Locator Module window. any suggestion? thanks.

    ReplyDelete
  7. Cty TNHH Thiết Kế Xây Dựng VuTa HouseJune 1, 2016 at 2:34 AM

    Can you guide me make monolayer MoS2.

    ReplyDelete
    Replies
    1. KatterAugust 10, 2016 at 11:25 PM

      File -> Import -> Structures -> catalysts -> heterogeneous -> MoS2

      Delete
  8. UnknownJanuary 9, 2017 at 8:22 PM

    Hi!
    Can you teach me on how to draw 3x3x1 supercell of graphene using MS castep? i want a graphene sheet with 18 C atom but failed to draw it. does i need to change the space group? thanks

    ReplyDelete
  9. UnknownDecember 28, 2018 at 10:50 AM

    i did on your commend to make a graphene... and i successed but the DOS of this graphene was not similar to the real graphene

    ReplyDelete
    Replies
    1. UnknownFebruary 11, 2021 at 9:46 PM

      Power Diffraction is not same as for graphene

      Delete
  10. MAX11November 3, 2019 at 9:56 AM


    شركة تنظيف فلل بحائل
    شركة تنظيف فلل بخميس مشيط
    شركة تنظيف مجالس بأبها

    ReplyDelete
  11. HTMay 14, 2021 at 11:04 AM

    This comment has been removed by the author.

    ReplyDelete
  12. HTMay 14, 2021 at 11:05 AM

    how to remove one of the two layers of graphene in material studio and then can build graphene like metal oxides?

    ReplyDelete
  13. 123August 2, 2021 at 9:52 PM

    https://youtu.be/M5tss0lcbgI please look this youtube video for Graphene

    ReplyDelete