Journals / Journal of Scientific Reports-A / 2021 / SayΔ±: 047
HYDROGEN PRODUCTION from HYDRAZINE on SOME TRANSITION METAL (Sc, Ti and V) -EMBEDDED GRAPHENE
- Issue
- 2021 Β· SayΔ±: 047
- Pages
- 184β196
- DOI
- β
Abstract
The investigation of N2H4 decomposition catalysts is a highly popular subject because of the demand for clean and renewable energy sources. Herein, π2π»4 adsorption energy and decomposition kinetics are analyzed to find a better 2D single-atom catalyst (SAC) using modified graphene by embedding light 3dtransition metals. Hydrogen selection of hydrazine decomposition over Sc,Ti and V atoms catalysts are studied on two pathways: the N-N bond scission ( π2π»4 β ππ»2 + ππ»2 ) and N-H bond split (π2π»4 β π2π»3 + π»). On graphene embedded by Sc and Ti metal produces easily 2ππ»2 because their activation energy is almost close to 0 eV. The activation of energy of N-H cleavage on graphene embedded by vanadium atom is lower (0.99 eV) than that of N-N cleavage (1.36 eV). Therefore, H production from hydrazine on V metal surface is more favorable than 2ππ»2 production.