Density functional theory study of CO2 adsorption on metal (M=Li, Al, K, Ca) doped MgO
Weiling Zhao, Zhiling Huang, Hui Shen, Xianglong Li, Shaofen Zhao, Bo Xie, Shengjie Xia
Topics & Concepts
AdsorptionDensity functional theoryPhysisorptionChemisorptionDopingMaterials scienceMetalCrystal (programming language)Inorganic chemistryOxideChemical physicsPhysical chemistryChemistryComputational chemistryMetallurgyOptoelectronicsComputer scienceProgramming languageLayered Double Hydroxides Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesMagnesium Oxide Properties and Applications