Computational determination of coordination structure impact on adsorption and acidity of pristine and sulfated MOF-808
Bo Yang, Joshua I. Wheeler, Brett Sorensen, Robert Steagall, Taylor Nielson, Jianhua Yao, Jose Mendez-Arroyo, Daniel H. Ess
Abstract
Metal–organic frameworks (MOFs) are composed of metal nodes connected by organic linkers.
Topics & Concepts
AdsorptionSulfationChemistryInorganic chemistryPhysical chemistryBiochemistryMetal-Organic Frameworks: Synthesis and ApplicationsX-ray Diffraction in CrystallographyMachine Learning in Materials Science