HSPILL-CEMA

Optimization of Hydrogen Storage via Spillover through a Combined Experimental and Modeling Approach

 Partecipanti

Mappa

 Word cloud

Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.

 Obiettivo del progetto (Objective)

'The objective of the proposed work is to synthesize catalyzed nanoporous materials that have superior hydrogen uptake between 300K and 400K and moderate pressures (20-100 bar) via the hydrogen spillover mechanism. Hydrogen spillover involves addition of a catalyst to a high-surface area microporous support, such that the catalyst acts as a source for atomic hydrogen, the atomic hydrogen diffuses from the catalyst to the support, and ideally, the support provides a high number of tailored surface binding sites to maximize the number of atomic hydrogens interacting with the surface. The proposed work will provide a means to explore an extended collaboration to combine in situ spectroscopic techniques and theoretical multi-scale modeling calculations. Carbon-based and microporous metal-organic framework (MMOF) materials will be drawn from past and on-going projects, so that the project will focus on identifying specific binding sites for atomic hydrogen and resolving the hydrogen spillover mechanism. Materials will be selected to explore the effect of catalyst size, material composition and structure, interface, and the potential role of co-catalysts on optimizing uptake via the hydrogen spillover mechanism. Materials will be characterized with in situ spectroscopy, and multi-scale modeling will be used to identify hydrogenation sites. Validated theory will be used to direct future material development. Identification of the key sites responsible for high uptake in select materials is expected to lead significant increase in capacity and reproducibility in hydrogen spillover materials that are optimized for near-ambient temperature adsorption.'

Introduzione (Teaser)

The lack of efficient hydrogen-storage materials hampers its commercialisation as an energy carrier. EU-funded scientists worked on designing and developing adsorbent materials that can store this fuel.

Descrizione progetto (Article)

Use of hydrogen spillover has been explored for increasing hydrogen uptake in nanoporous materials. Despite near-identical material preparation techniques, inexplicable variations in the magnitude of hydrogen uptake have been recorded.

To understand hydrogen spillover at the molecular level, EU-funded scientists initiated the 'Optimization of hydrogen storage via spillover through a combined experimental and modeling approach' (HSPILL-CEMA) project. Study findings would be used to design new materials for hydrogen storage and catalytic hydrogenation. Focus was placed on identifying structures that maximise hydrogen uptake.

Scientists studied carbon-based and micro-porous metal-organic framework materials to identify specific binding sites for hydrogen storage. Factors such as the effects of catalyst size, material composition and structure were assessed. In addition, HSPILL-CEMA sought to clarify the potential role of co-catalysts on optimising uptake via the hydrogen spillover mechanism. Another task was to determine how heteroatoms affect hydrogen mobility to/from carbon-supported catalysts.

The theoretical findings were in line with experiments but could not account for the relative stability and reproducibility of experimental surfaces. New candidate catalytic-carbon interfaces were identified, enabling hydrogen ready diffusion. Furthermore, some newly found carbon structures had the potential to 'seed' the hydrogen spillover process.

Identifying the key binding sites responsible for high hydrogen uptake should significantly increase reproducibility in hydrogen spillover materials that are optimised for near-ambient temperature adsorption.

Project findings should also find application in catalytic hydrogenation for fuel upgrading, adsorption and catalysis, and graphene-based devices.