Modeling pump-probe spectra of conjugated organic materials for optoelectronic applications

• Grant number: 16/01288-6
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: May 01, 2016
• End date: July 31, 2016
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Francisco Carlos Lavarda
• Grantee: Eliezer Fernando de Oliveira
• Supervisor: Johannes Karlheinz Gierschner
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Institution abroad: Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Spain
• Associated to the scholarship: 12/21983-0 - ELECTRONIC STRUCTURE OF ORGANIC MATERIALS FOR APPLICATIONS IN SOLAR CELLS' ACTIVE LAYERS, BP.DR

Abstract

Understanding the photophysics of organic materials is of fundamental importance in the discussion of the functionality of organic optoelectronic devices. Here, pump-probe spectroscopy (PPS) was developed as a particularly powerful experimental technique to analyze the excited state dynamics. Although quantum chemical codes for the calculation of PPS spectra are available, a proper evaluation of the methodologies by detailed comparison to experiment is largely missing. We thus propose here such a computational approach to be carried out in a well recognized group, having a strong expertise in the combined computational/experimental analysis of conjugated organic materials. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

OLIVEIRA, ELIEZER FERNANDO; SHI, JUNQING; LAVARDA, FRANCISCO CARLOS; LUER, LARRY; MILIAN-MEDINA, BEGONA; GIERSCHNER, JOHANNES. Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis. Journal of Chemical Physics, v. 147, n. 3, JUL 21 2017. (16/01288-6, 12/21983-0, 14/20410-1)