Tuning the Acid Hardness Nature of Cu Catalyst for Selective Nitrate‐to‐Ammonia Electroreduction
Chinese Academy of Sciences · Beijing National Laboratory for Molecular Sciences · +2 more institutions
Abstract
Abstract Electrocatalytic nitrate reduction reaction (NO 3 RR) in alkaline electrolyte presents a sustainable pathway for energy storage and green ammonia (NH 3 ) synthesis. However, it remains challenging to obtain high activity and selectivity due to the limited protonation and/or desorption processes of key intermediates. Herein, we propose a strategy to regulate the acid hardness nature of Cu catalyst by introducing appropriate modifier. Using density functional theory calculations, we firstly identified that the BaO‐modified Cu showed optimal Gibbs free energies for key NO 3 RR steps, including the protonation of *NO and the desorption of *NH 3 . Experimentally, the BaO‐modified Cu catalyst exhibited 97.3…
Citation impact
- FWCI
- 13.82
- Percentile
- 100%
- References
- 69
Authors
15- RWRuhan Wang
Chinese Academy of Sciences, Beijing National Laboratory for Molecular Sciences, Interface (United Kingdom), University of Chinese Academy of Sciences
- SJShunhan Jia
Chinese Academy of Sciences, Beijing National Laboratory for Molecular Sciences, Interface (United Kingdom), University of Chinese Academy of Sciences
- LWLimin Wu
Chinese Academy of Sciences, Beijing National Laboratory for Molecular Sciences, Interface (United Kingdom), University of Chinese Academy of Sciences
- LZLibing Zhang
Chinese Academy of Sciences, Beijing National Laboratory for Molecular Sciences, Interface (United Kingdom), University of Chinese Academy of Sciences
- XSXinning Song
Chinese Academy of Sciences, Beijing National Laboratory for Molecular Sciences, Interface (United Kingdom), University of Chinese Academy of Sciences
Topics & keywords
- Catalysis
- Protonation
- Chemistry
- Desorption
- Gibbs free energy
- Ammonia
- Inorganic chemistry
- Electron transfer