QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
Scripts, Tutorials and Applications
»
Graphene/g-C3N4 bilayer
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Graphene/g-C3N4 bilayer (Read 5081 times)
0 Members and 1 Guest are viewing this topic.
rupesh_shukla
Regular QuantumATK user
Posts: 7
Country:
Reputation: 0
Graphene/g-C3N4 bilayer
«
on:
May 15, 2017, 10:09 »
1) is graphitic carbon nitride (g-C3N4) available ?? because i have searched and could not find from database...
2) can we just make a graphene bi-layer using graphite.. and in the 2nd layer replace the carbon atom alternatively with nitrogen to make carbon nitride
Logged
Jess Wellendorff
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 933
Country:
Reputation: 29
Re: Graphene/g-C3N4 bilayer
«
Reply #1 on:
May 15, 2017, 13:02 »
Starting out from graphite or graphene sounds like a reasonable approach, provided that you optimize the geometry afterwards.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
Scripts, Tutorials and Applications
»
Graphene/g-C3N4 bilayer