HYDROGEN PRODUCTION from HYDRAZINE on SOME TRANSITION METAL (Sc, Ti and V) -EMBEDDED GRAPHENE

The investigation of N2H4 decomposition catalysts is a highly popular subject because of the demand for clean and renewable energy sources. Herein, ?2?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 ( ?2?4 → ??2 + ??2 ) and N-H bond split (?2?4 → ?2?3 + ?). On graphene embedded by Sc and Ti metal produces easily 2??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 2??2 production.

Keywords:

TM embedded graphene with single vacancy;, hydrazine decomposition; ., hydrazine decomposition hydrogen generation,

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Başlangıç: 2020
Yayıncı: Kütahya Dumlupınar Üniversitesi

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