شماره ركورد كنفرانس :
4865
عنوان مقاله :
N and Al doped Graphene as nano catalyst for Hydrogen Production
پديدآورندگان :
Ghanbari Milad m.ghanbari5115@gmail.com Damghan University , , Afshari Sadegh s.afshari@du.ac.ir Damghan University , Nabavi Amri S. Ahmad Damghan University
كليدواژه :
graphene , nanocatalysis , decomposition , water
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
In this study, we have used the Aluminum and Nitrogen doped graphene as a nano catalyst to produce hydrogen from water. We used Gaussian 09 package by density functional theory (m062x/6-311G) to optimize the structures energetically. The interaction of water with the Al and N atoms of doped graphene have been studied. After adsorption, decomposition of the water has been studied, too.
