Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

2010 ◽  
Vol 6 (9) ◽  
pp. 2856-2865 ◽  
Author(s):  
Rocío Sánchez-de-Armas ◽  
Jaime Oviedo López ◽  
Miguel A. San-Miguel ◽  
Javier Fdez. Sanz ◽  
Pablo Ordejón ◽  
...  
RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.


2013 ◽  
Vol 117 (23) ◽  
pp. 11906-11919 ◽  
Author(s):  
María José Marchena ◽  
Gustavo de Miguel ◽  
Boiko Cohen ◽  
Juan Angel Organero ◽  
Shyam Pandey ◽  
...  

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Chin-Guo Kuo ◽  
Cheng-Fu Yang ◽  
Lih-Ren Hwang ◽  
Jia-Sheng Huang

The self-aligned highly ordered TiO2nanotube (TNT) arrays were fabricated by potentiostatic anodization of Ti foil, and we found that the TNT-array length and diameter were dependent on the electrolyte (NH4F) concentration in ethylene glycol and anodization time. The characteristics of the fabricated TNT arrays were characterized by XRD pattern, FESEM, and absorption spectrum. As the electrolyte NH4F concentration in the presence of H2O (2 vol%) with anodization was changed from 0.25 to 0.75 wt% and the anodization period was increased from 1 to 5 h, the TNT-array length was changed from 9.55 to 30.2 μm and the TNT-array diameter also increased. As NH4F concentration was 0.5 wt%, the prepared TNT arrays were also used to fabricate the dye-sensitized solar cells (DSSCs). We would show that the measured photovoltaic performance of the DSSCs was dependent on the TNT-array length.


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