Proton-Conductive Cerium-Based Metal–Organic Frameworks
Wei Huan Ho, Shih‐Cheng Li, Yi‐Ching Wang, Tzu‐En Chang, Yi-Ting Chiang, Yi‐Pei Li, Chung‐Wei Kung
Abstract
of proton-conductive MOFs. Density functional theory calculations are utilized to probe the proton affinities of these MOFs. As the first study reporting the proton conduction in cerium-based MOFs, the finding here suggests that cerium-based MOFs should be a better platform for the design of proton conductors compared to the commonly reported zirconium-based MOFs in future studies on energy-related applications.
Topics & Concepts
CeriumMaterials scienceMetal-organic frameworkZirconiumProtonBimetallic stripIsostructuralConductivityDensity functional theoryMetalElectrical conductorInorganic chemistryPhysical chemistryAdsorptionCrystallographyComputational chemistryChemistryCrystal structureComposite materialMetallurgyPhysicsQuantum mechanicsMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceCovalent Organic Framework Applications