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How the change of OMe substituent position affects the performance of spiro-OMeTAD in neutral and oxidized forms: theoretical approaches
Density functional theory (DFT) was used to investigate the electronic and optical properties of the ortho, meta, and para derivatives of 2,2′,7,7′-tetrakis-(N,N-di-4-methoxyphenylamino)-9,9′spirobifluorene (spiro-OMeTAD) and its two oxidized forms (+1 and +2). The energy level, distribution shape,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080512/ https://www.ncbi.nlm.nih.gov/pubmed/35541152 http://dx.doi.org/10.1039/c8ra01879k |