A Co(<scp>ii</scp>)-coordination polymer for ultrahigh superprotonic conduction: an atomistic insight through molecular simulations and QENS experiments
Shyam Chand Pal, Santanu Chand, Anaparthi Ganesh Kumar, Paulo G. M. Mileo, Ian P. Silverwood, Guillaume Maurin, Susanta Banerjee, Syed Meheboob Elahi, Madhab C. Das
Abstract
A superprotonic conducting coordination polymer PCM-1 was synthesized. Joint experimental/modeling study revealed water-assisted proton dynamics through the formation of a long-range H-bonded network mediated by the Teixeira jump-diffusion model.
Topics & Concepts
DiffusionMolecular dynamicsThermal conductionProtonPolymerMaterials scienceJump diffusionChemical physicsCoordination polymerJumpAtmospheric temperature rangeCrystallographyThermodynamicsPhysical chemistryChemistryComputational chemistryPhysicsNuclear physicsComposite materialQuantum mechanicsFuel Cells and Related MaterialsMetal-Organic Frameworks: Synthesis and ApplicationsAdvanced battery technologies research