How to add functional group only one side of graphene for making graphene oxide sheet?

[zbwxjtu]

I also have the same problem, have you solved it?

[Anggonhub]

No I didn’t find any direction from make-graphitics. Instead I used GOPY tools where I modify some codes to do that.

By default GOPY places functional groups randomly on both sides. To change that, one has to modify the code.

Here, look at this function:

def top_or_down(): """Random top or below draw.""" ct = random.randint(1,2) if (ct == 1): return 1 else: return -1

1 is for top, -1 is for below. You may easily modify '-1' to '1' for top only.

Thank You!

Sincerely, 𝐀𝐧𝐠𝐠𝐨𝐧 𝐁𝐚𝐫𝐮𝐚 Research Assistant, Center for Interdisciplinary Chemistry Research (CICR). Graduate Student at the Department of Chemistry, Shahjalal University of Science and Technology(SUST), Sylhet, Bangladesh.

On Mon, Oct 9, 2023, 1:06 PM zbwxjtu @.***> wrote:

I also have the same problem, have you solved it?

— Reply to this email directly, view it on GitHub https://github.com/velocirobbie/make-graphitics/issues/8#issuecomment-1752448565, or unsubscribe https://github.com/notifications/unsubscribe-auth/AZ4XP7R3IOVLMXKOON5DPSDX6OPANAVCNFSM52Q4UCQKU5DIOJSWCZC7NNSXTN2JONZXKZKDN5WW2ZLOOQ5TCNZVGI2DIOBVGY2Q . You are receiving this because you authored the thread.Message ID: @.***>

[zbwxjtu]

Thank you very much！

---- Replied Message ---- | From | @.> | | Date | 10/10/2023 03:16 | | To | @.> | | Cc | @.>@.> | | Subject | Re: [velocirobbie/make-graphitics] How to add functional group only one side of graphene for making graphene oxide sheet? (Issue #8) |

No I didn’t find any direction from make-graphitics. Instead I used GOPY tools where I modify some codes to do that.

By default GOPY places functional groups randomly on both sides. To change that, one has to modify the code.

Here, look at this function:

def top_or_down(): """Random top or below draw.""" ct = random.randint(1,2) if (ct == 1): return 1 else: return -1

1 is for top, -1 is for below. You may easily modify '-1' to '1' for top only.

Thank You!

Sincerely, 𝐀𝐧𝐠𝐠𝐨𝐧 𝐁𝐚𝐫𝐮𝐚 Research Assistant, Center for Interdisciplinary Chemistry Research (CICR). Graduate Student at the Department of Chemistry, Shahjalal University of Science and Technology(SUST), Sylhet, Bangladesh.

On Mon, Oct 9, 2023, 1:06 PM zbwxjtu @.***> wrote:

I also have the same problem, have you solved it?

— Reply to this email directly, view it on GitHub https://github.com/velocirobbie/make-graphitics/issues/8#issuecomment-1752448565, or unsubscribe https://github.com/notifications/unsubscribe-auth/AZ4XP7R3IOVLMXKOON5DPSDX6OPANAVCNFSM52Q4UCQKU5DIOJSWCZC7NNSXTN2JONZXKZKDN5WW2ZLOOQ5TCNZVGI2DIOBVGY2Q . You are receiving this because you authored the thread.Message ID: @.***>

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you commented.Message ID: @.***>