Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Can we use FIREFLY for studying Hydrogen storage on nanosheets/flakes??
Siddheshwar Chopra
sidhusai@gmail.com
Dear Users,
Can we use FIREFLY to study the hydrogen storage/coverage on any nanosheets/flakes? The sole idea of this question is that we NEED to saturate the ends of the flakes with hydrogen, for DFT runs. But in case if I need to study the hydrogen storage, then I will need NO hydrogen containing parent sheet/flake... On this now we can stepwise increase hydrogen content.
Please anybody discuss this application. Anybody working on this using FIREFLY? The papers available are using VASP,DMol etc. packages. I want to use FIREFLY to do this.Kind Regards,
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Mon Feb 2 '15 11:54am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 760 times