Meng Zhang, Xuetao Cheng, Yun Duan, Junxiang Chen, Yan-Qin Wang
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Boron Doping Induced Strong Anchor Effect Between Bimetal NiCo Alloy and Carbon Support for Efficient Electrocatalytic Nitrate Reduction to Ammonia.
The electrochemical reduction of nitrate to ammonia presents a promising alternative to the conventional Haber-Bosch process. In this study, a bimetallic NiCo alloy embedded in metal-organic framework derived carbon layer with B doping electrocatalyst NiCo@BC was first successfully developed, which exhibits excellent electrochemical nitrate reduction to ammonia (ENO3RR) performance. In-depth in situ experiments and a machine-learning potential (MLP)-based simulation reveal that B doping within the carbon layer has a crucial anchor effect that induces strong binding between bimetal NiCo alloy and carbon support. Moreover, B doping leads to a decrease in the coordination numbers around the metals, which results in a reduction of the excessively strong intermediates adsorption in the ENO3RR process, thereby significantly enhancing catalytic activity. The fabrication strategy of this electrocatalyst provides a new avenue on ENO3RR research.
期刊介绍:
ChemSusChem
Impact Factor (2016): 7.226
Scope:
Interdisciplinary journal
Focuses on research at the interface of chemistry and sustainability
Features the best research on sustainability and energy
Areas Covered:
Chemistry
Materials Science
Chemical Engineering
Biotechnology