Predoctoral fellowship – Thiazole and imidazol derivatives as emitters to design efficient low band gap conjugated copolymers for OLED technologies
A 3-year doctoral fellowship is available in the field of computational modeling to investigate the properties of the molecular entities forming some well-known organic polymers with application as emitters in OLED devices such as thiophene and squaraine. The basic physical phenomenon which gives rise to the peculiar electrical and optical properties of polyconjugated molecules is the delocalization of π electrons along the chain backbone. Quantum-chemical calculations can provide useful empirical structure-property relationships for molecular engineering of new materials and to establish a general model for to understand their optical and electrical properties, ranging from molecules to materials. The position is funded by the Spanish Structures of Excellence María de Maeztu and will be renewed on a yearly basis.
Institut de Química Teòrica i Computacional. Universitat de Barcelona (IQTCUB)