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Two PhD positions at the Leiden Institute of Che ... (No replies)

3 weeks ago
budaf 3 weeks ago

Two PhD positions are immediately available at the Leiden Institute of Chemistry in the group of dr. Gregory Schneider and the group of prof. Huub de Groot, dr. Francesco Buda and dr. Agur Sevink. The purpose of this project is to design a functionalized nanoporous polyaromatic monolayer membrane (2D-NPA), based on ubiquitous elements (mainly carbon and nitrogen), for important widespread applications such as catalysis, fuel cells and integration into artificial photosynthesis devices. The research will focus on two main aspects:

PhD#1: Functionalized polyaromatic hydrocarbons (PAHs) synthesis and bottom-up preparation of functionalized porous monolayer membrane. The properties of the 2D-NPA membrane will be tailored for the target applications by modifying the chemical structure of the PAHs and membrane preparation conditions.

PhD#2: Computational evaluation of membrane selectivity and ion-flux as a function of membrane design and operating conditions, ion concentration and gradients. In silico characterization of the performance of functionalized 2D-NPA for water oxidation catalysis using classical and ab-initio molecular dynamics. The candidate should have strong computational chemistry and/or molecular modeling background. Experience in molecular dynamics simulations and density functional theory calculations is a plus.

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Ab initio (from electronic structure) calculation of complex processes in materials