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Charge Transfer and Transport Processes in Molecule-Substrate Systems: A Theoretical Perspective

Monday, May 06, 2019 - 12:00
Place: 
CFM Auditorium
Who: 
Pedro Braña Coto, Department of Physical and Analytical Chemistry, University of Oviedo
Source Name: 
CFM

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

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