DESIGNING AN ENHANCED SELF-SUPPORTED TRANSITION METAL COMPLEXES BASED ON ELECTROCATALYSTS FOR HYDROGEN EVOLUTION REACTION

Abstract

Progressing efficient and low-cost catalysts to reduce overpotential within the hydrogen evolution reaction (HER) in large-scale production is highly desirable in the present era. The catalysts are accustomed to initiating an excellent approach to optimizing the electronic characteristics employed to boost their electrocatalytic production. In this article, we described the activity of transition-metal complexes with the nitrogenous analog of carbonic acid and naphthalene ring containing monocarboxylic acid to study hydrogen evolution reactions. The HER activity in transition metal complexes was varied through physicochemical and electrochemical properties. Density function theory (DFT) was calculated using the B3LYP hybrid functional and the basis set of 6-311 + G (d,p) to deliver the relevant frontier orbitals.