Density functional theory study of high-temperature CO2 adsorption by Li2ZrO3: Effect of typical flue gas components on adsorption energy and electronic properties
Yuan Liu, Xingliang Ji, Tao Wang, Jiawei Wang, Yongsheng Zhang, Wei‐Ping Pan
Topics & Concepts
AdsorptionFlue gasDesorptionChemisorptionDensity functional theoryChemistryChemical engineeringThermodynamicsChemical physicsPhysical chemistryComputational chemistryOrganic chemistryPhysicsEngineeringChemical Looping and Thermochemical ProcessesAdvancements in Solid Oxide Fuel CellsCatalytic Processes in Materials Science