Carbon Dioxide Reduction into Methanol Catalyzed by Cu/ZrO2 systems: An Experimental and Theoretical Study
||Carbon Dioxide Reduction into Methanol Catalyzed by Cu/ZrO2 systems: An Experimental and Theoretical Study|
||SNIC Small Compute|
||Giane Damas <email@example.com>|
||2022-11-01 – 2023-11-01|
The secular concern related to energy production using fossil fuels, as the main cause for the global warming, has motivated the investigation of new alternatives that are more environmentally friendly. In this context, the methanol economy was proposed in the last decade, based on the hydrogenation of carbon dioxide to produce methanol fuel. In this project, the carbon dioxide conversion using the Cu/ZrO2 system is investigated by means of experimental and theoretical methods, where the mechanism is aimed to be understood to enable the process optimization in the future. More specifically, we make use of a combined theoretical-experimental approach consisting of infrared (IR) measurements and quantum chemical simulations within the hybrid density functional theory (DFT) framework.