Author Topic: how i will made the heterostrcuctutre of graphene-MoS2  (Read 2732 times)

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Offline praveendwivedi

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I am beginner of ATK so how i will calculate the band-structure of graphene-MoS2 ?please any one help me?

Offline zh

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Re: how i will made the heterostrcuctutre of graphene-MoS2
« Reply #1 on: March 14, 2014, 14:11 »
You can use the "interface tool" in VNL to construct a supercell with graphene/MoS2.

Before you do the construction of graphene/MoS2 system and the related calculations, you may read the following paper:
 Yandong Ma,   Ying Dai, Meng Guo,   Chengwang Niu and   Baibiao Huang, Nanoscale, 2011,3, 3883-3887
http://pubs.rsc.org/en/content/articlelanding/2011/nr/c1nr10577a#!divAbstract
Graphene adhesion on MoS2 monolayer: An ab initio study

Then you would find lots of hints: e.g., how large the sizes of graphene and MoS2 should be chosen to make the lattice be-matched.