| dc.creator |
Deogratias, Geradius |
|
| dc.creator |
Seriani, Nicola |
|
| dc.creator |
Pogrebnaya, Tatiana |
|
| dc.creator |
Pogrebnoi, Alexander |
|
| dc.date |
2020-03-02T07:41:28Z |
|
| dc.date |
2020-03-02T07:41:28Z |
|
| dc.date |
2020-01-01 |
|
| dc.date.accessioned |
2022-10-25T09:24:44Z |
|
| dc.date.available |
2022-10-25T09:24:44Z |
|
| dc.identifier |
31683153 |
|
| dc.identifier |
https://doi.org/10.1016/j.jmgm.2019.107480 |
|
| dc.identifier |
http://dspace.nm-aist.ac.tz/handle/123456789/583 |
|
| dc.identifier.uri |
http://hdl.handle.net/123456789/95720 |
|
| dc.description |
This research article published by Elsevier Inc. |
|
| dc.description |
Dye-sensitized solar cells (DSSCs) have attracted widespread attention due to their unique features. In the present work, molecular engineered triphenylamine based dyes featuring donor-bridge-acceptor architecture have been considered and investigated for suitable properties for DSSCs applications. Hydantoin anchoring group has been introduced replacing the commonly used cyanoacrylic acid to improve the long-term stability of the device. Results on the effects of varied anchoring groups and pi-spacers have been interpreted from the viewpoint of DFT/TD-DFT calculations. Designed sensitizers exhibit suitable light-harvesting efficiencies, excited-state lifetimes, electron injection and regeneration abilities. Red-shifted electronic spectra are observed for three hydantoin dyes compared to others in the same family. Further analysis of chemical descriptors and observation from full-electron donor-acceptor map reveal that the three dyes among nine are potential materials with promising properties towards improving DSSCs performance. |
|
| dc.format |
application/pdf |
|
| dc.language |
en |
|
| dc.publisher |
Elsevier Inc. |
|
| dc.subject |
Cyanoacrylic |
|
| dc.subject |
DSSC |
|
| dc.subject |
Hydantoin |
|
| dc.subject |
Optoelectronics |
|
| dc.subject |
Triphenylamine |
|
| dc.title |
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation. |
|
| dc.type |
Article |
|