Next Thursday, June 25th, the defense of the doctoral thesis entitled “Computational modeling of relevant electron-transfer processes in π-conjugated systems” will take place, by Raquel Rubert Albiol.

This thesis has been supervised by professors Enrique Ortí Guillén and Juan Aragó March. The thesis defense will take place at 10:30 a.m. in the seminar room of the I2SysBio institute (ground floor), located in the science park of the Universitat de València.

Abstract:

This thesis addresses, from a computational perspective, the study of electron transfer processes in π-conjugated systems of interest in the field of organic electronics. This thesis presents the development of a new methodology to calculate electronic couplings in molecular pairs in a computationally efficient manner. In addition, charge transport and photoinduced electron transfer processes are rationalized in two different families of π-conjugated compounds.