Study on porphyrins and phthalocyanines for dye-sensitized solar cell

• Grant number: 15/01786-3
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2015
• End date: April 30, 2017
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Paula Homem-de-Mello
• Grantee: Cassiano Minoru Aono
• Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil

Abstract

Recently, many studies are addressed to find innovative renewable energy sources. One of those ways is the generation of electricity from solar energy, which is extremely abundant. The sensitized solar cell dye may be a viable way to accomplish this transformation. Porphyrins and phthalocyanines dyes-based cells showed high efficiency. The employment of these classes of compounds is a novel strategy and there are still many possibilities to be investigated. In this work, we intend to propose new dyes derived from porphyrins and phthalocyanines for use as photosensitizers using computer simulation techniques, especially electronic structure methods. Properties such as geometries, dipole moment, atomic charges, energies of the frontier orbitals, structures and adsorption energies on the semiconductor surface will be evaluated to find promising new molecules. (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)

AONO, CASSIANO MINORU; COUTINHO-NETO, MAURICIO D.; MIOTTO, RONEI; HOMEM-DE-MELLO, PAULA. CAHM1: A Theory-Based Proposal for a New DSSC D-A-pi-A Dye. Journal of Physical Chemistry C, v. 122, n. 48, p. 27256-27262, DEC 6 2018. (15/01786-3, 17/23416-9)