CO2 adsorption and desorption across the Fe-doped Ca-based composites in the presence of H2O: A DFT approach
Dehao Kong, Yingjin Zhang, Binjian Nie, Nan An, Ziyang Zhu, Qicheng Chen
Topics & Concepts
DesorptionAdsorptionDopingMaterials scienceDensity functional theorySolid-stateWork (physics)Chemical engineeringAnalytical Chemistry (journal)Inorganic chemistryPhysical chemistryChemistryThermodynamicsComputational chemistryOrganic chemistryEngineeringPhysicsOptoelectronicsChemical Looping and Thermochemical ProcessesCarbon Dioxide Capture TechnologiesThermal and Kinetic Analysis