진학프로석·박사 채용 접수 플랫폼

SOLMAG-H2 aims to demonstrate that tailored nanoscaled metal magnetic materials can definetively unleash STH values by simultaneously enhancing: (i) lifetime of photogenerated e--h+ pairs, (i) photoabsorption, and (iii) photothermal conversion.

Computational calculations based on Density Functional Theory (DFT) and its time dependent (TDDFT) version, which allows to access the study of the excited states will be carried out. The computational strategy will follow the design of realistic nanostructured models beyond the standard approach based on either bulk or extended surface models. In particular, we will focus on Ni/NiO and TiO2/Pt heterostructures separately. Later, the hybrid NWs will be investigated. By these studies, fundamental aspects such as the size, morphology and composition will be investigated with the goal of understanding the evolution of the electronic and magnetic properties with such structural modifications. Given that the proposed hybrid NWs will be used for the photocatalytic OWS, the reactivity of water including

thermodynamic and kinetic aspects will be investigated in the excited state potential energy surface.

Salary gross anual: 29.820 €

link call Seu Electrònica UB: https://seu.ub.edu/ofertaPublicaCategoriaPublic/listPublicacionsAmbCategoria?categoria.id=696286