Utilization of electron‐deficient thiadiazole derivatives as π-spacer for the red shifting of absorption maxima of diarylamine-fluorene based dyes
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| 024 | 7 | 0 | |a 10.1007/s00214-014-1596-0 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00214-014-1596-0 | ||
| 245 | 0 | 0 | |a Utilization of electron‐deficient thiadiazole derivatives as π-spacer for the red shifting of absorption maxima of diarylamine-fluorene based dyes |h [Elektronische Daten] |c [Salah Khan, Asif Mahmood, Usman Rana, Sajjad Haider] |
| 520 | 3 | |a This study is carried out to design diarylamine-fluorene dyes by incorporating electron‐deficient thiadiazole derivatives. Quantum chemical calculations are performed to study the geometries, electronic structures and absorption spectra of the dyes. Interaction of dyes with TiO2 cluster is also studied. The effects of the electron‐deficient units on the spectra and electrochemical properties have been investigated. Dyes D1-D4 display remarkably enhanced spectral response in the red portion of the solar spectrum as compared with reference compound D0. The newly designed dyes demonstrate desirable energetic and spectroscopic parameters and may lead to efficient metal‐free organic dye sensitizers for DSSCs. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2014 | ||
| 690 | 7 | |a Organic dyes |2 nationallicence | |
| 690 | 7 | |a Dye-sensitized solar cells |2 nationallicence | |
| 690 | 7 | |a Diarylamine-fluorene dyes |2 nationallicence | |
| 690 | 7 | |a Density functional theory |2 nationallicence | |
| 700 | 1 | |a Khan |D Salah |u Deanship of Scientific Research, College of Engineering, King Saud University, PO Box 800, 11421, Riyadh, Saudi Arabia |4 aut | |
| 700 | 1 | |a Mahmood |D Asif |u Department of Chemistry, University of Sargodha, 40100, Sargodha, Pakistan |4 aut | |
| 700 | 1 | |a Rana |D Usman |u Deanship of Scientific Research, College of Engineering, King Saud University, PO Box 800, 11421, Riyadh, Saudi Arabia |4 aut | |
| 700 | 1 | |a Haider |D Sajjad |u Department of Chemical Engineering, College of Engineering, King Saud University, PO BOX 800, 11421, Riyadh, Saudi Arabia |4 aut | |
| 773 | 0 | |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/1(2015-01-01), 1-7 |x 1432-881X |q 134:1<1 |1 2015 |2 134 |o 214 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00214-014-1596-0 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00214-014-1596-0 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Khan |D Salah |u Deanship of Scientific Research, College of Engineering, King Saud University, PO Box 800, 11421, Riyadh, Saudi Arabia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Mahmood |D Asif |u Department of Chemistry, University of Sargodha, 40100, Sargodha, Pakistan |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Rana |D Usman |u Deanship of Scientific Research, College of Engineering, King Saud University, PO Box 800, 11421, Riyadh, Saudi Arabia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Haider |D Sajjad |u Department of Chemical Engineering, College of Engineering, King Saud University, PO BOX 800, 11421, Riyadh, Saudi Arabia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/1(2015-01-01), 1-7 |x 1432-881X |q 134:1<1 |1 2015 |2 134 |o 214 | ||