Proton conduction and nanoionics

Research Project, 2013 – 2016

This proposal aims towards fundamental and theoretical understanding of the ionic conduction mechanisms in solid oxides. It focuses on defect related properties and on nanosized structures with high interfacial density. Ionic, protonic and electronic defects is considered and special emphasis is directed towards the proton conduction mechanism. The project combines first-principles electronic structure methods with statistical thermodynamics modeling techniques and collaborate closely with experimental groups. More specifically, the project aims are: i) to reveal the fundamental reason for the high grain boundary resistance for proton conduction in perovskites that severely limits the materials performance, ii) to understand how strain, coherency and interfacial chemistry combine to modify defect properties and the proton conduction mechanism in thin films and in heterostructures. The ultimate goal of this research initiative is to contribute to the design of advanced energy relevant material based on the achieved understanding of the fundamental mechanisms operating in these systems.

Participants

Funding

Related Areas of Advance and Infrastructure

Sustainable development

Driving Forces

Nanoscience and Nanotechnology

Areas of Advance

Energy

Areas of Advance

Basic sciences

Roots

Materials Science

Areas of Advance

Publications

The role of oxygen vacancies on the vibrational motions of hydride ions in the oxyhydride of barium titanate

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