Charge Transfer and Transport Processes in Molecule-Substrate Systems: A Theoretical Perspective
CFM Seminars
- Speaker
-
Pedro Braña Coto, Department of Physical and Analytical Chemistry, University of Oviedo
- When
-
2019/05/06
14:00 - Place
- CFM Auditorium
- Add to calendar
-
iCal
Understanding the mechanisms of electron transfer and transport processes (ET)
is instrumental in the design of nanoelectronic devices with tailored
properties. In this respect, theory and simulation play a fundamental role
assisting the interpretation of experimental results and providing that
information on the ET mechanisms that cannot be obtained from experiments. In
this talk, I will present an overview of our recent results in the simulation
of ET processes in novel materials with applications to nanoelectronics and
organic photovoltaics. Specifically, I will discuss i) the dynamics of
electron injection processes in organic molecules adsorbed at metal surfaces,
ii) charge transport processes in single molecule junctions, and iii) the
dynamics of intramolecular singlet fission in pentacene dimers covalently
bonded to conjugated and cross-conjugated organic linkers.
Host: Javier Aizpurua