Nitrogen electroreduction performance of transition metal dimers embedded into N-doped graphene: a theoretical prediction

The electrocatalytic nitrogen reduction reaction (eNRR) under ambient conditions using sustainable energy sources is a fascinating approach for ammonia (NH 3 ) production to replace the industrial Haber-Bosch process with enormous energy input and continuous CO 2 emissions. However, the eNRR process...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2020-02, Vol.8 (8), p.4533-4543
Hauptverfasser:	Li, Hongyan, Zhao, Zhifeng, Cai, Qinghai, Yin, Lichang, Zhao, Jingxiang
Format:	Artikel
Sprache:	eng
Schlagworte:	Alternative energy Ammonia Bonding strength Carbon dioxide Carbon dioxide emissions Catalysts Catalytic activity Chemical reduction Density functional theory Dimers Dispersion Electrocatalysts Energy sources Graphene Hydrogen evolution reactions Intermediates Metals Nitrogen Renewable energy Selectivity Substrates Sustainability Transition metals
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