Exploring the capabilities of metal-doped phthalocyanine (MPC, M = Co, Cu, Fe, Ni, Zn) for adsorption of CO2: A DFT study
Khalida Abaid Samawi, Shaimaa Imad Ali, Taghried A. Salman, Belal Abd-Alsatar Alshekhly
Topics & Concepts
PhthalocyanineAdsorptionDensity functional theoryMaterials scienceHOMO/LUMODopingMetalReactivity (psychology)Metal-organic frameworkElectronic structureInorganic chemistryPhysical chemistryComputational chemistryMoleculeChemistryNanotechnologyOrganic chemistryOptoelectronicsAlternative medicinePathologyMedicineMetallurgyCovalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture Technologies