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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
Oliveira, Eliezer Fernando [1] ; Lavarda, Francisco Carlos [1, 2]
Total Authors: 2
Affiliation:
[1] UNESP Univ Estadual Paulista, POSMAT Grad Program Mat Sci & Technol, Bauru - Brazil
[2] UNESP Univ Estadual Paulista, DF FC, Bauru - Brazil
Total Affiliations: 2
Document type: Journal article
Source: MOLECULAR SIMULATION; v. 43, n. 18, p. 1496-1501, 2017.
Web of Science Citations: 2
Abstract

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)

FAPESP's process: 12/21983-0 - ELECTRONIC STRUCTURE OF ORGANIC MATERIALS FOR APPLICATIONS IN SOLAR CELLS' ACTIVE LAYERS
Grantee:Eliezer Fernando de Oliveira
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 14/20410-1 - Electronic structure of organic materials for applications in the active layer of solar cells
Grantee:Francisco Carlos Lavarda
Support Opportunities: Regular Research Grants