Fe(III) grafted MoO3 nanorods for effective electrocatalytic fixation of atmospheric N2 to NH3 |
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| Affiliation: | 1. School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu, 611731, Sichuan, China;2. Institute for Advanced Study, Chengdu University, Chengdu, 610106, Sichuan, China;3. School of Chemical Sciences, University of Chinese Academy of Sciences, Yuquan Road, Shijingshan District, Beijing, 100049, China |
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| Abstract: | Electrocatalytic nitrogen reduction reaction (ENRR) offers a carbon-neutral process to fix nitrogen into ammonia, but its feasibility depends on the development of highly efficient electrocatalysts. Herein, we report that Fe ion grafted on MoO3 nanorods synthesized by an impregnation technique can efficiently enhance the electron harvesting ability and the selectivity of H+ during the NRR process in neutral electrolyte. In 0.1 M Na2SO4 solution, the electrocatalyst exhibited a remarkable NRR activity with an NH3 yield of 9.66 μg h?1 mg?1cat and a Faradaic efficiency (FE) of 13.1%, far outperforming the ungrafted MnO3. Density functional theory calculations revealed that the Fe sites are major activation centers along the alternating pathway. |
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| Keywords: | Electrocatalytic nitrogen reduction Electrocatalyst Nanorods Density functional theory |
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