Project description DEENESFRITPL Studying the on-surface synthesis of surface-supported molecular architectures The electronics industry would not exist if it were not for nanoelectronics. As for the future of nanoelectronics, it will move from bulk 3D materials to lower dimensionalities of 1D and 2D materials. As such, there is a need to create well-controlled molecular networks. This is not easy because growth-driving forces remain poorly understood. In this context, the EU-funded SMART THEME project will develop a synergistic theoretical and experimental line of research on the on-surface synthesis of surface-supported molecular architectures using novel methods in density functional theory. The project’s main goal is to build an irreplaceable theoretical tool to rationalise experiments and drive them toward optimal synthesis routes. Show the project objective Hide the project objective Objective The future of nano-electronics has been proposed to be switching soon from bulk 3D materials to lower dimensionalities. The self-assembly of well-designed molecular precursors on appropriate surfaces is a very promising route towards 1D/2D materials with a high degree of long-range order and tailored functionalities. However, the synthesis of well controlled molecular networks is a lengthy and expensive trial-and-error process because growth driving forces are poorly understood and generally hard to investigate. Research in the field can be improved and sped up thanks to optimization guidelines derived from first principles modeling of the elemental steps of the growth process. This project aims to develop a synergistic theoretical and experimental line of research on the on-surface synthesis of novel surface-supported molecular architectures. The candidate is a well experienced computational quantum chemist which will integrate a team of experimentalists and theoreticians expert in the field of molecular assembling and reactivity at surfaces. Novel methods in density functional theory will be employed to simulate complex molecular configurations and reactions paths. On one side the theoretical activity will provide predictive modeling of the mechanisms of surface-assisted reactions and fundamental insights for the interpretation of microscopy and spectroscopy observations. On the other side, precisely targeted experiments will provide the necessary validation of the theoretical approaches employed and will stimulate the most pertinent directions over which the theoretical modeling should be addressed. The ultimate goal of the project will be to build an irreplaceable theoretical tool to rationalize experiments and to drive them towards optimal synthesis routes. Fields of science engineering and technologynanotechnologynano-materialstwo-dimensional nanostructuresnatural sciencesphysical sciencesopticsmicroscopyengineering and technologynanotechnologynanoelectronicsnatural sciencesphysical sciencesopticsspectroscopy Programme(s) H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions Main Programme H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility Topic(s) MSCA-IF-2018 - Individual Fellowships Call for proposal H2020-MSCA-IF-2018 See other projects for this call Funding Scheme MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF) Coordinator UNIVERSITA DEGLI STUDI DI PADOVA Net EU contribution € 275 209,92 Address Via 8 febbraio 2 35122 Padova Italy See on map Region Nord-Est Veneto Padova Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00
