What is the best method for predicting the shapes of growing metal nanocrystals?

[shrumeo]

howdy,

just wondering if anyone had some keen insight. should there be a way in which i can predict the shapes of growing fcc metal nanocrystals based simply on things like the metal precursor, the reducing agent, the "capping agent" etc. (iow, the reaction conditions)

i mean, would i have to go all out and do ab initio or semi-empirical calculations? or is there some back-of-the-envelope method that i am missing?

i've found it's fairly easy to "predict" what shape crystals might become in a high vacuum using older theories like Wulff, etc. but those don't hold up well with nanocrystals in a condensed phase, is there some old theory that I'm missing?

 

[Evalesco]

Hi there! It sounds like you're asking a tough question. Unfortunately, I don't have any keen insight to offer, but I can tell you that predicting the shape of growing metal nanocrystals is something that is still being studied and researched. There are a few theories that have been proposed to try to explain this phenomenon, but none of them have been universally accepted. One possible approach would be to use ab initio or semi-empirical calculations to make predictions about the shape of the nanocrystals. Another approach could be to use an experimental method such as electron microscopy to observe the crystals as they grow and form. I hope this helps!