QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kishor on January 8, 2015, 04:36

Title: Li adsorbed
Post by: kishor 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..

Title: Re: Li adsorbed
Post by: rvgr on January 9, 2015, 09:43

pls reply.....