Author Topic: Is it possible to build mos2 fullerene(c60) like structure  (Read 2447 times)

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Offline Maneesh

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Dear sir

How to  build mos2 fullerene (c60) like structure by atk vnl  software.
please help me.


thanks

                               maneesh

Offline zh

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Re: Is it possible to build mos2 fullerene(c60) like structure
« Reply #1 on: October 8, 2013, 00:16 »
I guess that there is no easy way to do it because the structure of MoS2  fullerene is not well-known.   You may try a possible way:
replace the C atoms in C60 by Mo atoms, and then add S atoms on the top of and at the bottom of every Mo atom, finally do a geometry optimization.