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Roads less traveled: Nitrogen reduction reaction catalyst design . . . Applications of nitrogen reduction electrocatalysts remain inhibited by slow reaction kinetics and low faradaic efficiencies because of competitive H2 production pathways Current strategies to address this challenge in selectivity have focused on catalyst design, reactor configuration, and electrolyte conditions
Nitrogen reduction reaction (NRR) modelling: A case that illustrates . . . In the present review, I cover some of the most important aspects for the DFT modelling and in - silico design of NRR electrocatalysts: a brief guide highlighting the scope of the computational tools that we have as well as the most important challenges in the field
Roads Less Traveled: Nitrogen Reduction Reaction (NRR) Catalyst Design . . . Current strategies to address this challenge in selectivity have focused on catalyst design, reactor configuration, and electrolyte conditions This brief review discusses the thermodynamic and kinetic challenges in the field as well as current under-utilized approaches for selective catalyst development including bimetallic catalysts
Recent progress on catalyst design of nitrogen reduction . . . Herein, we summarize the recent catalyst design strategies to boost the NRR performance, i e , the activity and selectivity Additionally, representative computational studies are reviewed, accompanied by insights into further improving the catalytic behavior
Roads less traveled_ Nitrogen reduction reaction catalyst . . . This process contributes to1% of total global fossil fuel consumption and emits 300million metric tons of CO 2 annually [1e3] Electrochemical nitrogen reduction reaction (NRR) forammonia production has the potential to alleviate harshreaction conditions, offer a renewable energy-drivenpathway, and use carbon-free starting materials
Roads less traveled: Nitrogen reduction reaction catalyst design . . . Current strategies to address this challenge in selectivity have focused on catalyst design, reactor configuration, and electrolyte conditions This brief review discusses the thermodynamic and kinetic challenges in the field as well as current under-utilized approaches for selective catalyst development including bimetallic catalysts
Novel Design Strategy of High Activity Electrocatalysts toward Nitrogen . . . The excellent catalytic activity of HDACs is attributed to a significant difference of valence electron distribution between boron and TMs, which could better activate N≡N bonds and promote the conversion of NH 2 to NH 3 compared with boron or metal single-atom catalysts and traditional double-atom catalysts (DACs)