Design of diblock co-oligomers as low bandgap small molecules for organic solar cells

Autor(es)

Oliveira, Eliezer Fernando ^[1] ; Lavarda, Francisco Carlos ^{[1, 2]}

Afiliação do(s) autor(es)

^[1] UNESP Univ Estadual Paulista, POSMAT Grad Program Mat Sci & Technol, Bauru - Brazil

^[2] UNESP Univ Estadual Paulista, DF FC, Bauru - Brazil

• Tipo de documento: Artigo Científico
• Fonte: MOLECULAR SIMULATION; v. 43, n. 18, p. 1496-1501, 2017.
• Citações Web of Science: 2

Resumo

The properties of a particular kind of small molecule that is built from two oligomers of different monomers, i.e. a diblock co-oligomer, as the electron donor in the active layer of organic solar cells are investigated theoretically. For these molecules, this work shows that it is possible to predict the energies of the frontier molecular orbitals by knowing the same energies for the oligomers that constitute the diblock, opening the possibility of designing new materials with optimal energy levels and optical properties. Furthermore, it was observed that the optical absorption bands of these diblock co-oligomers were broader than that of the constituent oligomers and also of the homopolymers, allowing greater absorption of photons and possibly an improved electric current in the device. It was also shown that these phenomena are size-dependent. (AU)

• Processo FAPESP: 12/21983-0 - Estrutura eletrônica de materiais orgânicos para aplicações em camadas ativas de células solares
• Beneficiário: Eliezer Fernando de Oliveira
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 14/20410-1 - Estrutura eletrônica de materiais orgânicos para aplicações em camadas ativas de células solares
• Beneficiário: Francisco Carlos Lavarda
• Modalidade de apoio: Auxílio à Pesquisa - Regular