Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
Practical electrochemical N2 reduction reaction is challenged by competing side reactions. Here a combination of DFT and mikrokinetic modelling reveals the potential-dependent competition between electrochemical ammonia production and hydrogen evolution on a single-site iron catalyst embedded in N-d...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-07-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-24539-1 |