Electrochemical reduction of CO2 (CO2RR) offers a sustainable approach to simultaneously lower atmospheric CO2 levels and convert it into useful chemicals. While noble metals are currently the most effective catalysts for this process, their expense limits large-scale use, driving the search for more affordable alternatives. Transition-metal sites incorporated within metal-organic frameworks...
Underground hydrogen storage (UHS) and geological CO2 sequestration are two important technologies supporting the global energy transition. While each has been widely studied independently, their integration—specifically, the use of stored CO2 as a cushion gas for hydrogen storage—offers both economic and environmental advantages. Using CO2 as the cushion gas can reduce operating costs, make...
Antiperovskite-type Cu3XN (X = Ni, Pd, Pt) materials have recently emerged as promising candidates for catalytic CO2 electroreduction due to their metallic conductivity, tunable surface chemistry, and structural flexibility. In this work, we employ first-principles density functional theory (DFT) calculations to investigate the electronic and catalytic properties of Cu3XN systems with a focus...
