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PhD position at the Graduate Program in Nanotech ... (No replies)

spiccinin
5 years ago
spiccinin 5 years ago

Applications are invited for a PhD student position in the Graduate Program in Nanotechnology at the University of Trieste, Italy (https://web.units.it/dottorato/nanotecnologie/en), in collaboration with the Institute of Materials – National Research Council (https://www.iom.cnr.it/). The project focuses on first-principles simulations of the reactivity of metal clusters supported on oxides.

Short description of the project

Recent experiments have extended the model catalyst approach, commonly used in heterogeneous catalysis, to electrochemistry, through the use of single crystal oxide supports and metal nanoparticle of well-defined size. These systems have been investigated experimentally both in UHV and in electrolytes, finding similarities and differences in the two environments that await a theoretical interpretation. The goal of the project is to use first-principles density functional theory (DFT) calculations to shed light on the role of metal-support interactions and of the electrolyte in model catalysts for electrochemical applications.     

The project involves simulations of bulk and surface properties of transition metal oxides; the adsorption of metal clusters of various sizes; the interaction of the oxide surface and the metal particles with liquid water; the role of the metal/oxide interface; the catalytic properties of the system, focusing on reactions relevant for electrochemical applications; simulation of IR and XPS spectra, to be compared with experimental measurements. The project involves a close collaboration with leading experimental groups active in the field.

About the program

The PhD Program in Nanotechnology is a multidisciplinary program for PhD students at the University of Trieste. Our goal is to offer an inspiring environment for you to do exciting research, in a location rich with international scientific institutions and in a city well-known for the highest concentration of young scientists in Italy. The PhD Program in Nanotechnology offers an international environment and all classes are taught in English. The collaboration with many research institutions in the territory offers unique possibilities for your future career. The PhD Program in Nanotechnology is a partner of the international network “Physical and Chemistry of Advanced Materials”. 

How to apply

Admission to the Graduate Program in Nanotechnology is subject to a selection procedure. The deadline for applications is June 17, 2019. More information can be found at this website: http://www2.units.it/dott/en/?file=ComeIscriversi.inc

Supervisor / Contact

The project will be supervised by Dr. Simone Piccinin (CNR-IOM). For more information you can send email to: [email protected]




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