Advances in CO<sub>2</sub> capture and utilization: the role of DFT in understanding CO<sub>2</sub> activation and its conversion mechanisms for methanol and cyclic carbonates production
Valeria Butera, Giampaolo Barone
Abstract
CO 2 capture and utilization (CCU) offers a sustainable path to convert CO 2 into valuable products. DFT has been proved a crucial tool to provides key insights into its activation and conversion mechanisms.
Topics & Concepts
MethanolCatalysisProduction (economics)ChemistryCombinatorial chemistryBiochemical engineeringOrganic chemistryEconomicsEngineeringMicroeconomicsCarbon Dioxide Capture TechnologiesCatalysts for Methane ReformingZeolite Catalysis and Synthesis