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Identifier

000441511

Title

Ανόργανα-οργανικά υβριδικά υλικά με βάση φωσφονο-σουλφονικούς υποκαταστάτες ως αγωγοί πρωτονίων

Alternative Title

Inorganic-organic hybrid materials based on phosphono-sulphonic ligands as proton conductors

Author

Ξανθόπουλος, Κωνσταντίνος Α.

Thesis advisor

Δημάδης, Κωνσταντίνος

Reviewer

Άγγλος, Δημήτριος
Τρικαλίτης, Παντελεήμων

Abstract

In this Master thesis, novel, “mixed” ligands based on phosphonic, sulphonic and carboxylic acid groups, as well as coordination compounds of them with metal ions of the 1st row transition metals, were synthesised and characterized. The various products isolated were examined using various physicochemical techniques, such as NMR spectroscopy (¹H, ³¹P nuclei), ATR-IR spectroscopy, single crystal X-Ray crystallography, TGA analysis, CHNS elemental analysis and EDS. The new metal phosphonate products that were discovered, because of the nature of the ligands and their design, demonstrate proton conduction properties. Hence, they were further exploited using electrochemical impendance spectroscopy EIS and computationally via ab initio calculations and classical molecular dynamics simulations. From the experimental values of the activation energy of the proton conduction phenomenon and the results of the simulations, it was verified that in most cases, the mechanism of conductions was the Grotthuss-type. The ability of these materials to conduct protons, as well as their stability at relatively high temperatures and humidity conditions, make them promising for applications in proton exchange membrane fuel cells PEMFC, and in the hydrogen technology in general.

Language

Greek

Subject

Coordination compounds

Hydrated proton conductivity

Hydrogen technology

Metalphosphonate compounds

Phosphonic acids

Proton conductors

Proton exchange membrane fuel cell

Sulphonic acids

Ένυδρη πρωτονιακή αγωγιμότητα