Author Topic: reduced Graphene oxide by Molecular Builder  (Read 3192 times)

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Offline saeed

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reduced Graphene oxide by Molecular Builder
« on: August 26, 2016, 09:53 »
Dear VNL users ,

I want to build rGO that has just C-O-C groups from graphene .
So with "Builder" window I uploaded a graphene sheet and then with "Molecular Builder" I want to attach oxygen on this graphene sheet .
Unfortunately I can't ! The problem is most of the time oxygen doesn't make any bond with carbon !

Can you please let me know what I have to do ?

Best,
Saeed.

Offline Jess Wellendorff

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Re: reduced Graphene oxide by Molecular Builder
« Reply #1 on: August 29, 2016, 08:53 »
I don't know exactly whar "rGO" looks like, but I'm guessing it's some kind of reduced graphene sheet. Simplest way to add oxygen atoms to a graphene sheet is probably to fir add a New Configuration, then turn it into a O atom, and then drag-and-drop to O atom onto the graphene sheet configuration. Then use the Move Tool  to position the O atom correctly.

Offline zh

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Re: reduced Graphene oxide by Molecular Builder
« Reply #2 on: August 29, 2016, 09:53 »
The simply adding of oxygen atoms couldn't achieve the so-called reduced graphene oxide.  From the stability of different oxygen-containing chemical groups ( (ether, hydroxyl, epoxy and ketone) on graphene, you  proprably need to consider the combination of these chemical groups and introduce carbon vacancy in graphene.