8
$\begingroup$

I know how to create the nanowire using Materials Studio. The difference between the nannowire and the nanorod is the aspect ratio.

But I am not sure where should I fix the width and length of the nanorod. My system is mixer of $\ce{WO3}$ (space group is $221$; Pm-3m) and WC (Space group is $187$; P-6m2). We can see it as $\ce{WO_{(3-x)}}$ and $\ce{WC_x}$.

Any help will be very much helpful.

Improve this question
$\endgroup$
7
  • 2
    $\begingroup$ +1 But if you agree with the formatting for $\ce{WO3}$ I've given you in my last edit: mattermodeling.stackexchange.com/posts/5012/revisions then please do the same for $\ce{WC}$ too. $\endgroup$
    – Nike Dattani - No Free Time
    Commented May 20, 2021 at 0:28
  • 1
    $\begingroup$ Do you mean a cocrystal of WO3 and WC? If yes, are you sure they can form a reasonably stable cocrystal? This does not seem likely to me, because the valence of O and C differ. $\endgroup$
    – wzkchem5
    Commented Jun 24, 2021 at 17:16
  • 1
    $\begingroup$ Thanks, @wzlchem5, The pristine system is WO3 nanorods with a mixture of WC. It also has an impurity of carbon dots. The final product I need to design is WO(3−𝑥).WC𝑥. $\endgroup$
    – astha
    Commented Jun 25, 2021 at 5:48
  • $\begingroup$ I do not know much about nanorods but I have been constructing structures of Nano particles(Quantum Dots) using Vesta, it seems to be really good with structure modelling. As for adding particular ligands if you want them you can try IQmol for that purpose. $\endgroup$
    – Parmeet Singh EP 066
    Commented Jun 25, 2021 at 20:49
  • $\begingroup$ @wzkchem5 Does astha's answer to your question help it make more sense? $\endgroup$
    – Nike Dattani - No Free Time
    Commented Jul 12, 2021 at 6:41

1 Answer 1

Reset to default
7
$\begingroup$

So I have been researching Quantum Dots but I will give you some advice on how could you go about creating your structure using VESTA and add ligands using IQ mol. You should watch this video first - https://www.youtube.com/watch?v=KxO5uLsvkRE.\ Moreover at the point where the instructor changes the central atom and uses that to create the bonds what you could do is to change atoms in a row and then use some minimum bond length(this you could get from the desired width). enter image description here

I got the above image and I think it looks like a nano rod. Further once you have a long cylindrical shape you could adjust the length, the only idea I have for this is to check the distance between the end points and eliminate the atoms on either side.
Totally not an expert but hope this helps.

Improve this answer
$\endgroup$
1
  • $\begingroup$ Thank you Parmeet. I will try this way. $\endgroup$
    – astha
    Commented Jul 18, 2021 at 9:56

You must log in to answer this question.

Not the answer you're looking for? Browse other questions tagged .