Boosting(机器学习)
亚硝酸盐
氨生产
氨
电化学
磁场
磁电机
材料科学
还原(数学)
凝聚态物理
化学
核磁共振
无机化学
物理
计算机科学
硝酸盐
磁铁
物理化学
电极
数学
人工智能
量子力学
有机化学
几何学
作者
Ashadul Adalder,K.K. Mitra,Narad Barman,Ranjit Thapa,S. Bhowmick,Uttam Kumar Ghorai
标识
DOI:10.26434/chemrxiv-2024-v8chs
摘要
Using low and optimized magnetic field along with electric field is a novel strategy to facilitate electrochemical nitrite reduction. Here, we report for the first time on the synthesis of ammonia via magneto-electrocatalytic methods that use spin-thrusted β-MnPc in a magnetic field of 95 mT. The calculated rate of ammonia generation was 16603.4 µg h-1 mgcat-1, which is almost twice that of the non-polarized MnPc catalyst. Additionally, the faradaic efficiency at –0.9V vs. RHE was found to be 92.9%, significantly higher compared to the non-polarized MnPc catalyst. In presence of external magnetic field, MnPc catalysts provide a better electron transfer channel which results in a lower charge transfer resistance and hence better electrochemical performances. DFT result further verifies that magnetic field induced β-MnPc has a lower potential barrier (0.51 eV) for the protonation of NO* (PDS) than non-polarized β-MnPc (1.08 eV), which confirms the enhanced electrochemical nitrite reduction to ammonia aided by external magnetic field.
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