Unveiling the genesis of the high catalytic activity in nickel phthalocyanine for electrochemical ammonia synthesis
Shyamal Murmu, Sourav Paul, Samadhan Kapse, Ranjit Thapa, Santanu Chattopadhyay, N. Abharana, S. N. Jha, D. Bhattacharyya, Uttam Kumar Ghorai
Abstract
DFT is applied to identify the active sites of NiPc for NRR and its catalytic origination. Accordingly, NiPc nanorods, synthesized by solvothermal method, exhibit NH<sub>3</sub> yield rate of 85 μg h<sup>−1</sup> mg<sub>cat</sub><sup>−1</sup> and FE of 25% at −0.3 V <italic>vs.</italic> RHE.
Topics & Concepts
CatalysisNanorodAmmoniaNickelYield (engineering)PhthalocyanineElectrochemistryChemistryInorganic chemistryNuclear chemistryMaterials scienceNanotechnologyPhysical chemistryOrganic chemistryElectrodeMetallurgyAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion