Author Topic: Li adsorbed  (Read 1533 times)

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Offline kishor

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Li adsorbed
« on: January 8, 2015, 04:36 »
i want adsorbed Li on graphene i adsorbed like this
1. I take graphene zigzag nanoribbon
2. take Li (alpha hexogonal)
3. delete one Li atom
4.and move another one on zigzag nanoribbon(hallow site above centre of hexagonal)
5. optimize geometry
6. i get result where Li come on centre of hexagonal
7.is it right process to adsorbed Li on nanoribbon
Ans. please..

Offline rvgr

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Re: Li adsorbed
« Reply #1 on: January 9, 2015, 09:43 »
pls reply.....