شماره ركورد كنفرانس :
4865
عنوان مقاله :
Improvement of electrocatalytic performance of graphene with Germanium (Ge) heteroatom for oxygen reduction reaction
پديدآورندگان :
mohammadirada Nafiseh nafisehmohammadirad68@gmail.com University of Azarbaijan Shahid Madani , jahanbinb Jaber jsardroodi@azaruniv.edu University of Azarbaijan Shahid Madani , esrafilic Mehdi md.esrafili@gmail.com University of Maragheh
كليدواژه :
oxygen reduction reaction (ORR) , metal , free catalysts , GeN3 , graphene , Reaction mechanism , DFT
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
As one of the potential candidates for electrocatalysis, metal free and nitrogen co-doped graphene has attracted extensive attention in recent years. In this work, the structural stability and ORR mechanism of GeN3 embedded graphene have been Studied theoretically. The kinetically most favorable reaction pathway for ORR is a four-electron process. The kinetically most favorable pathway is O2 dissociation, in witch rate-determining step is the O atom hydrogenation into OH with an energy barrier of 1.41 eV
