Computational Insight into Metallated Graphynes as Single Atom Electrocatalysts for Nitrogen Fixation.
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DOI: 10.1021/acsami.2c05087
Abstract: The electrochemical nitrogen reduction reaction (NRR) is expected to achieve sustainable ammonia synthesis via direct nitrogen fixation; however, the high-quality catalysts that play a crucial role in the NRR are still lacking. The emerging transition… read more here.
Keywords: insight metallated; teb systems; metallated graphynes; graphynes single ... See more keywords