Molecular insights into the role of O2 in reversed C2H6/C2H4 separation on metal–organic frameworks
Ruihan Wang, Qiang Gao, Yeshuang Zhong, Xin Wang, Dingguo Xu
Topics & Concepts
ChemistryDensity functional theoryMetal-organic frameworkChemical physicsSelectivityComputational chemistryMoleculeAdsorptionMolecular dynamicsMetalPhysical chemistryCatalysisOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceX-ray Diffraction in Crystallography