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• W4385969295 startingPage "14094" @default.
• W4385969295 abstract "Extensive research on the electrochemical nitrogen reduction reaction (NRR) has put forward a sound list of potential catalyst materials with properties inducing N2 adsorption, protonation, and reduction. However, rather than a random selection of catalysts, it is essential to understand the vitals in terms of orbital orientation and charge distribution that actually manipulate the rate-determining steps of NRR. Realizing these factors, herein we have explored a main group earth-abundant Mg-based electrocatalyst Mg2B2O5 for NRR due to the abundance of Lewis acid sites in the catalyst favoring the bonding–antibonding interactions with the N2 molecules. Positron annihilation studies indicate that the electronic charge distribution within the catalyst has shallow surface oxygen vacancies. These features in the catalyst enabled a sound Faradaic efficiency of 46.4% at −0.1 V vs reversible hydrogen electrode for the selective NH3 production in neutral electrolyte. In situ Fourier transform infrared suggests a maximum N–N bond polarization at −0.1 V and detected H–N–H and –NH2 intermediates during the course of the NRR on the catalyst surface. In a broader picture, the biocompatibility of Mg2+ diversifies the utility of this catalyst material in N2/biofuel cell applications that would certainly offer a green alternative toward our goal of a sustainable society." @default.
• W4385969295 created "2023-08-19" @default.
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• W4385969295 date "2023-08-18" @default.
• W4385969295 modified "2023-10-07" @default.
• W4385969295 title "Ample Lewis Acidic Sites in Mg₂B₂O₅ Facilitate N₂ Electroreduction through Bonding–Antibonding Interactions" @default.
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• W4385969295 doi "https://doi.org/10.1021/acs.inorgchem.3c02389" @default.
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• W4385969295 hasPublicationYear "2023" @default.
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