The Effect of Donor Group Rigidification on the Electronic and Optical Properties of Arylamine-Based Metal-Free Dyes for Dye-Sensitized Solar Cells: A Computational Study

2016 ◽  
Vol 120 (29) ◽  
pp. 5917-5927 ◽  
Author(s):  
Liezel L. Estrella ◽  
Mannix P. Balanay ◽  
Dong Hee Kim
Keyword(s):  
Optical Properties ◽  
Solar Cells ◽  
Computational Study ◽  
Dye Sensitized Solar Cells ◽  
Donor Group ◽  
Electronic And Optical Properties ◽  
Metal Free ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

scholarly journals First-Principles Studies on Structural, Electronic and Optical Properties of Fe-doped Nis2 Counter Electrode for Dye-Sensitized Solar Cells using Dft+U

2020 ◽  
Vol 17 (2) ◽  
pp. 81
Author(s):  
Nur Aisyah Ab Malik Marwan ◽  
Nurakma Natasya Md Jahangir Alam ◽  
Mohd Hazrie Samat ◽  
Muhammad Zamir Mohyedin ◽  
Nur Hafiz Hussin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solar Cells ◽  
First Principles ◽  
Density Functional ◽  
Counter Electrode ◽  
Dye Sensitized Solar Cells ◽  
Dft Method ◽  
Electronic And Optical Properties ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

The structural, electronic and optical properties of nickel disulfide (NiS2) and iron (Fe)-doped NiS2 were computed by using first-principles calculations through the density functional theory (DFT) method. The Fe was used as a dopant element to understand the behavior and the key mechanism of Fe-doped NiS2 as a counter electrode in dye-sensitized solar cells (DSSC). The results indicated that the structural properties of the NiS2 as the cubic crystal structure with the space group Pa3 (205) (pyrite structure type) agree with experimental data. The density of states (DOS) of NiS2 and Fe-doped NiS2 shows a gapless bandgap due to Mott insulator behavior. As for optical properties, the optical absorption of NiS2 is shifted towards the infrared (IR) region when doping with Fe while the conductivity of Fe-doped NiS2 is slightly higher in conductivity. These optical properties show that Fe-doped NiS2 is good for photocatalytic activity and may provide an excellent electron charge transfer for a counter electrode in DSSC

Triple bond-modified anthracene sensitizers for dye-sensitized solar cells: a computational study

RSC Advances ◽  
2015 ◽  
Vol 5 (48) ◽  
pp. 38130-38140 ◽  
Author(s):  
Ruangchai Tarsang ◽  
Vinich Promarak ◽  
Taweesak Sudyoadsuk ◽  
Supawadee Namuangruk ◽  
Nawee Kungwan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Theoretical Investigation ◽  
Triple Bond ◽  
Organic Dyes ◽  
Computational Study ◽  
Dye Sensitized Solar Cells ◽  
Donor Group ◽  
Dye Sensitized ◽  
Cyanoacrylic Acid ◽  
Sensitized Solar Cells

We performed a theoretical investigation on a series of organic dyes incorporating an anthracene moiety between a carbazole donor group and a cyanoacrylic acid acceptor, in which a triple bond (TB)-modified moiety acts as a π-conjugated linker.

Iridium(III) 2-Phenylbenzimidazole Complexes: Synthesis, Structure, Optical Properties, and Applications in Dye-Sensitized Solar Cells

2015 ◽  
Vol 2016 (3) ◽  
pp. 347-354 ◽  
Author(s):  
Stanislav I. Bezzubov ◽  
Yuri M. Kiselev ◽  
Andrey V. Churakov ◽  
Sergey A. Kozyukhin ◽  
Alexey A. Sadovnikov ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Efficient electron transport in tetrapod-like ZnO metal-free dye-sensitized solar cells

2009 ◽  
Vol 2 (6) ◽  
pp. 694 ◽  
Author(s):  
Wei-Hao Chiu ◽  
Chia-Hua Lee ◽  
Hsin-Ming Cheng ◽  
Hsiu-Fen Lin ◽  
Shih-Chieh Liao ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electron Transport ◽  
Dye Sensitized Solar Cells ◽  
Metal Free ◽  
Dye Sensitized ◽  
Sensitized Solar Cells
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