Specific alkali metal sites as CO2 traps in activated carbon with different pore size for CO2 selective adsorption: GCMC and DFT simulations
Qingchun Li, Wenjun Xu, Xin Liang, Baogen Liu, Qingding Wu, Zheng Zeng, Liqing Li, Xiancheng Ma
Topics & Concepts
AdsorptionSelectivityFlue gasGraphiteAlkali metalActivated carbonInorganic chemistryDensity functional theoryCarbon fibersChemistryDopingMetalOxygenChemical engineeringMaterials sciencePhysical chemistryOrganic chemistryCatalysisComputational chemistryComposite materialOptoelectronicsComposite numberEngineeringCarbon Dioxide Capture TechnologiesMembrane Separation and Gas TransportChemical Looping and Thermochemical Processes