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Poster 50

 DFT and AIMD simulation hydrogen adsorption on Ni4 cluster embedded in multivacancy graphene

Comments

Unknown said…
Hi! good morning! I really like your poster.
Hydrogen storage is really a very big deal. My question is ... why is it so important that systems are thermodynamically stable under ambient conditions? Have you considered doing the study at lower temperatures? Regards
Hugo said…
It is a nice work!
We have a contribution related with the stability of icosahedral Ni13–xCux (https://doi.org/10.1016/j.physe.2019.113880).

Have you considered doing the study with a bimetallic cluster?

Regards

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