Unlocking the Potential of Zr4N4 Catalyst for CO2 Dissociation Mechanism into CO and HCOOH | Synapse
March 28, 2026
Unlocking the Potential of Zr4N4 Catalyst for CO2 Dissociation Mechanism into CO and HCOOH
Key Points
This research aims to explore the CO2 dissociation mechanism using the Zr4N4 catalyst.
Utilized density functional theory to analyze the reaction pathways.
Identified the active site involved in CO2 reduction.
Evaluated the electrochemical properties of the catalyst.
The Zr4N4 catalyst effectively facilitates CO2 dissociation.
Identified pathways leading to the formation of CO and HCOOH.
Demonstrated potential for enhancing carbon capture technologies.
Abstract
Here, we employed a Zr4N4 catalyst to investigate the electrochemical reduction of carbon dioxide (CO2) via state of art density functional theory (DFT). The active site was identified at the...