Identifying the Gate-Opening Mechanism in the Flexible Metal–Organic Framework UTSA-300
Shree Ram Acharya, Anthony Elias, Kui Tan, Stephanie Jensen, Rui‐Biao Lin, Banglin Chen, Michael D. Gross, Timo Thonhauser
Abstract
adsorption in the open-pore structure as crucial steps in the gate-opening mechanism in this system.
Topics & Concepts
ChemistryAdsorptionAb initioInfrared spectroscopyMetal-organic frameworkAcetyleneChemical physicsPhysical chemistryOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceBoron and Carbon Nanomaterials Research