Morphology Determines an Efficient Coherent Electron Transport for Push-Pull Organic Semiconductors Based on Triphenylamine and Dicyanovinyl Groups.
Materials (Basel)
; 16(6)2023 Mar 18.
Article
em En
| MEDLINE
| ID: mdl-36984323
The morphology of the active layer in organic solar cells is fundamental for achieving high power conversion efficiency. However, the morphological characteristics for optimal performance are still being investigated. An atomistic computational approach is required to determine the relationship between active layer morphology and performance. Since the organic solar cell has multiple phases and interfaces, the computational modeling of charge generation and transport is challenging. We then used a set of push-pull semiconductors to illustrate how the electronic transmission spectrum, derived from the Landauer-Büttiker formalism, can be used to investigate the efficiency of coherent charge transport across anisotropic organic solids. The electronic transmission spectrum was calculated from the electronic band structure obtained using the density-functional-based tight-binding method. We found that coherent charge transport was more efficient along the direction parallel with the interface between the electron-acceptor and electron-donor moieties for a herringbone morphology.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
Materials (Basel)
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Colômbia
País de publicação:
Suíça