𝐁𝐞𝐬𝐭 𝐌𝐚𝐭𝐞𝐫𝐢𝐚𝐥𝐬 𝐒𝐭𝐮𝐝𝐢𝐨 𝐓𝐮𝐭𝐨𝐫𝐢𝐚𝐥: 𝐇𝐨𝐰 𝐭𝐨 𝐁𝐮𝐢𝐥𝐝 𝐀𝐧𝐲 𝐒𝐭𝐫𝐮𝐜𝐭𝐮𝐫𝐞 𝐟𝐫𝐨𝐦 𝐒𝐜𝐫𝐚𝐭𝐜𝐡?

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  • Опубликовано: 5 ноя 2024

Комментарии • 6

  • @機械工程系張時造
    @機械工程系張時造 24 дня назад

    Wow What a nice video!!! It help me to create 2D monolayer BC2N structure.
    Thanks a lot!!!Hope can recording more video.

    • @CompChemStudio
      @CompChemStudio  23 дня назад +1

      @@機械工程系張時造Glad to know it helped you to build your structure. However, I'm currently really busy with my PhD work. I'll try uploading videos if I find time.

  • @tanveemhossain5377
    @tanveemhossain5377 Год назад +1

    Very good!But why no more video??

    • @CompChemStudio
      @CompChemStudio  Год назад

      Sorry dear, I've been very busy these days for my exams. I'll upload one video soon (working now). However, it's not on Materials Studio. For the next video, I'll focus on Materials Studio.

  • @機械工程系張時造
    @機械工程系張時造 24 дня назад

    By the way, my lattice constants 𝑎 and 𝑏 are 4.93 Å. If I change the crystal lattice constants to fit my bond distance (e.g., 4.93 → 5.203 Å), will it make my results inaccurate?

    • @CompChemStudio
      @CompChemStudio  24 дня назад

      @@機械工程系張時造 if you already know the lattice parameters from literature, then you should use that one. This method is mostly for new systems or for those you don't have the lattice parameters. After using this method you have to do a structure optimization with the cell optimization. Depending on the level of theory you can get closure to the known lattice parameters of you know already. But I'd suggest if you already know use that one.
      Bond distances are not constant. For visualization we use the bonds. Actually that is the overlapping of electron clouds from two different atoms. Depending on the environment bond length (overlapping region) changes.