Highly Selective N2 Electroreduction to NH3 Using a Boron-Vacancy-Rich Diatomic Nb?B Catalyst |
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| Authors: | Ru Feng Hanqing Yin Fuhao Jin Wei Niu Wanting Zhang Jingquan Liu Aijun Du Wenrong Yang Zhen Liu |
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| Affiliation: | 1. College of Materials Science and Engineering, Institute for Graphene Applied Technology Innovation, Qingdao University, 308 Ningxia Road, Qingdao, 266071 P. R. China;2. School of Chemistry and Physics and Centre for Materials Science, Queensland University of Technology, Gardens Point Campus, Brisbane, 4001 Australia;3. School of Life and Environmental Sciences, Deakin University, 75 Pigdons Road, Geelong, VIC 3216 Australia |
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| Abstract: | The ambient electrochemical N2 reduction reaction (NRR) is a future approach for the artificial NH3 synthesis to overcome the problems of high-energy consumption and environmental pollution by Haber–Bosch technology. However, the challenge of N2 activation on a catalyst surface and the competitive hydrogen evolution reaction make the current NRR unsatisfied. Herein, this work demonstrates that NbB2 nanoflakes (NFs) exhibit excellent selectivity and durability in NRR, which produces NH3 with a production rate of 30.5 µg h?1 mgcat?1 and a super-high Faraday efficiency (FE) of 40.2%. The high-selective NH3 production is attributed to the large amount of active B vacancies on the surface of NbB2 NFs. Density functional theory calculations suggest that the multiple atomic adsorption of N2 on both unsaturated Nb and B atoms results in a significantly stretched N2 molecule. The weakened N?N triple bonds are easier to be broken for a biased NH3 production. The diatomic catalysis is a future approach for NRR as it shows a special N2 adsorption mode that can be well engineered. |
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| Keywords: | boron vacancies diatomic catalysis NbB2 nitrogen reduction reaction |
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