When molybdenum disulfide is grown over substrate(hBN) by cvd technique, there is van der waals force between molybdenum disulfide and hBN. Molybdenum disulfide finds the most stable position over hBN. For this, MoS2 cluster rotates over the substrate. Rotation angle is 0 & 60 degree over the substrate.
How to rotate the MoS2 cluster (considering unit cell or center of mass of MoS2 or something else) over substrate in computer simulation?
Dear Imran Fahim thank you for your interesting technical question. The following potentially useful research article might help you in your analysis:
Full orientation control of epitaxial MoS2 on hBN assisted by substrate defects
Article [arXiv:1801.00487] Full orientation control of epitaxial MoS...
This paper is freely available as public full text on ResearchGate.
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