A data-driven and DFT assisted theoretic guide for membrane design in flow batteries
Tianyu Li, Wenjing Lu, Zhizhang Yuan, Huamin Zhang, Xianfeng Li
Abstract
Machine learning combined with DFT calculations was reported to screen suitable solvents to regulate the structure of porous PBI membranes.
Topics & Concepts
MembraneFlow (mathematics)Computer scienceDensity functional theoryMaterials sciencePorosityChemical engineeringNanotechnologyChemistryComputational chemistryEngineeringMechanicsPhysicsComposite materialBiochemistryAdvanced battery technologies researchAdvanced Battery Technologies ResearchFuel Cells and Related Materials