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generation, targeted atomistic simulations, structural descriptor extraction, and predictive models. The work will aim to establish links between local pore geometry, structural disorder, sodium adsorption
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. The localization of active sites via the adsorption of probe molecules and/or the application of spectroscopic methodologies will be the subject of in-situ spectroscopic characterization under real conditions, among
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simulations (MD), including the development or use of appropriate interatomic potentials to study adsorption, diffusion, and thin-film growth, as well as ion–matter interactions during deposition, whether ion
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, Raman, UV, NMR). - Evaluation of the properties and performance of zeolites (adsorption, catalysis, separation). This project will be developed at the LCS - Catalysis & Spectrochemistry Laboratory located
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of crystalline molecular solids have great potential for application in photocatalysis owing to their large surface area, high stability, tailorable properties and high CO2 adsorption capacity. Accordingly