Associative vs. dissociative mechanism: Electrocatalysis of nitric oxide to ammonia

MBenes: progress, challenges and future

“…Therefore, MBenes are expected to be applied as electrode and electrocatalysis materials. The applications for energy storage and electrocatalysis have been widely investigated theoretically by rst principles methods, including anodes of Li, Na, Mg ion batteries and Li-S batteries, as well as electrocatalysis for the hydrogen evolution reaction (HER), 8,30,36,39,58,59 oxygen evolution reaction (OER), 59 oxygen reduction reaction (ORR), 59 nitrogen reduction reaction (NRR), [31][32][33]35,54,[60][61][62][63] carbon dioxide reduction reaction (CO 2 RR), 64,65 nitric oxide reduction reaction (NORR), 34,66 and urea production. 67…”

“…Apart from N 2 , nitric oxides could also be reduced to ammonia by electrocatalysis, referred to as the nitric oxide reduction reaction (NORR), which was reported to be more active than the NRR on Cu catalysts ( U L = 0.9 eV) by Long et al 75 On the other hand, the NORR could also serve as an effective way to lighten air contamination caused by NO. He et al 66 studied the NORR catalytic activity for Cr 2 B 2 , Mn 2 B 2 , Mo 2 B 2 , Hf 2 B 2 and W 2 B 2 orth-MBenes along two pathways, namely associative and dissociative pathways. When the NORR proceeds along the associative pathway, proton/electron pairs interact with N and O atoms of NO alternately, also resulting in two different sub-pathways involving the formation of HNO or NOH.…”

Density functional theory study of a two-atom active site transition-metal/iridium electrocatalyst for ammonia synthesis

“…4 In recent years, electrocatalysis has been applied to various catalytic reactions, including the oxygen reduction reaction (ORR), [5][6][7][8] oxygen evolution reaction (OER), [9][10][11][12] CO 2 reduction reaction (CO 2 RR), [13][14][15] hydrogen evolution reaction (HER), 16 and nitrogen reduction reaction (NRR). [17][18][19][20][21][22][23][24][25] Among these electrocatalytic processes, the NRR process can be used for the production of ammonia. Crucially, the NRR can be carried out using renewable electricity and allows NH 3 synthesis under ambient conditions, making it suitable for alleviating the growing energy and environmental crises.…”

First‐Principles Study of 3d Transition Metal Atoms Doped Ni13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction

“…It is the combination of electrochemical and catalyst and has been widely used in oxygen reduction reaction, carbon dioxide reduction reaction, nitrogen reduction reaction (NRR), and so on. [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] The advantages of electrocatalytic NH 3 synthesis are that water can be used as hydrogen source directly under ambient conditions, the working potential is low, and electric energy can be provided by clean energy to avoid pollution caused by fossil fuel combustion, which is one of the ideal solutions to environmental and energy problems. It has not only important scientific significance but also potential application value and good development prospects.…”