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Open AccessUnderstanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
A key challenge to realizing practical electrochemical N2 reduction reaction (NRR) is the decrease in the NRR activity before reaching the mass-transfer limit as overpotential increases. While the hydrogen evolut...
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Article
Open AccessAutomated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility
Mechanistic understanding of large molecule conversion and the discovery of suitable heterogeneous catalysts have been lagging due to the combinatorial inventory of intermediates and the inability of humans to...