Integrated Computational Engineering, Characterization and Validation of Semiconductor Colloidal Nanocrystals with Advanced Properties

• Applicants: Professor Dr. Nikolai Gaponik (†); Dr. Jan-Ole Joswig; Dr. Ute Resch-Genger
• Subject Area: Synthesis and Properties of Functional Materials ; Solid State and Surface Chemistry, Material Synthesis ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: from 2014 to 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 263742589

ICENAP will design new nanocrystals (quantum dots - QD) and tailor microstructural changes in known ones during processing to obtain the following improved properties: (i) photoluminescent (PL) quantum yield exceeding 90% irrespective of QD concentration; (ii) minimum blinking; (iii) inorganic shells designed to ensure stable QD PL for at least 12 months; and (iv) organic shells ensuring QD stability in biological media for at least 6 months. New generation QDs will be developed through modeling and simulation using material physics-based design principles. The results will be used for the synthesis of QD cores and their layer-by-layer coating with inorganic shells, utilizing structural models fitting their structure seen in HRTEM. The predicted properties of these multishell QDs will be experimentally validated. ICENAP combines modeling, simulation and validation of a new class of nanomaterials, which will have a strategic impact and create new dynamism by accumulation of new knowledge along the innovation chain.

• DFG Programme: Research Grants
• International Connection: France
• Participating Person: Professor Dr. Igor Nabiev