QuantumATK Forum
QuantumATK => Scripts, Tutorials and Applications => Topic started by: rupesh_shukla on May 15, 2017, 10:09
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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 ???
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Starting out from graphite or graphene sounds like a reasonable approach, provided that you optimize the geometry afterwards.