B-SURF: Triggering the energy release from MOST compounds at interfaces – Fundamental mechanisms, kinetics, reversibility

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In future MOST-based storage technology, it will be essential to control the energy release at will. This project will lay the scientific foundations for efficient and controllable energy release at the solid/liquid interface. We will explore catalytically and electrochemically triggered pathways as well as new interrelated strategies such as potential-controlled catalytic processes. We will focus on the fundamental understanding required to develop future energy release technologies at a knowledge driven basis. To this aim, we will start from studies of the energy release mechanisms under ideal surface science conditions (work package 1) and proceed to in-situ studies of the solid/liquid interface with and without potential control (work packages 2 and 3). We will explore energy release reactions at ideal atomically defined model interfaces, focusing on three materials classes, i.e. metallic systems, oxides, and molecular systems. For each class, we will start from simple model systems and successively increase the complexity towards interfaces featuring nanostructures and isolated sites. As a unique feature of the project, we will use identical atomically defined model interfaces in all environments, thus facilitating the information transfer between the work packages. The project will target three main research questions: (i) What are the fundamental chemical mechanisms of triggered energy release and what are the key factors that limit the activity and selectivity? (ii) What are the fundamental materials concepts that enable highest efficiency in terms of critical materials combined with highest activity, selectivity, and stability over extended operation periods? (iii) What are the fundamental operation concepts to implement controllability and switchability in future MOST technology along with highest reversibility, energy density, and solar efficiency? In each work package, we will combine two complementary types of in-situ methods, i.e. scanning probe microscopy to follow the atomic structure of the interface and vibrational spectroscopy to explore the mechanisms, kinetics, and selectivity. By using equivalent methods in surface science studies and in studies of (electrified) liquid/solid interfaces, we will be able to transfer the scientific insights between these worlds. Our focus will be on advanced photochemical in-situ experiments which we will further develop beyond the current state-of-the-art. Our project will play a key role in FOR MOST by providing the fundamental knowledge basis to guide molecular design strategies, to design catalytic processes, and to implement novel MOST systems in devices within the partner projects of this Research Unit. Exploring the functionality of tailored interfaces and fundamental operation principles, this project will push forward integrated molecular/materials concepts for future MOST technology to unprecedented efficiency, stability, reversibility, and controllability.