First-principles study on XV2S4 (X = Ni, Cr, and Mo) counter electrode for dye-sensitized solar cells

2020 ◽  
Vol 3 (2) ◽  
pp. 125-131
Author(s):  
Mohd Hazrie Samat ◽  
Mohamad Fariz Mohamad Taib ◽  
Oskar Hasdinor Hassan ◽  
Muhd Zu Azhan Yahya ◽  
Ab Malik Marwan Ali
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Counter Electrode ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

scholarly journals First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

2011 ◽  
Vol 21 (30) ◽  
pp. 11101 ◽  
Author(s):  
Saurabh Agrawal ◽  
Pratibha Dev ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

Design of new metal-free dyes for dye-sensitized solar cells: A first-principles study

2012 ◽  
Vol 376 (38-39) ◽  
pp. 2595-2599 ◽  
Author(s):  
Xiong Gu ◽  
Le Zhou ◽  
Yawei Li ◽  
Qiang Sun ◽  
Puru Jena
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Metal Free ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

First principles study of ruthenium(ii) sensitizer adsorption on anatase TiO2 (001) surface

RSC Advances ◽  
2015 ◽  
Vol 5 (74) ◽  
pp. 60230-60236 ◽  
Author(s):  
Hao Yang ◽  
Jia Li ◽  
Gang Zhou ◽  
Sum Wai Chiang ◽  
Hongda Du ◽  
...  
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Anatase Tio2 ◽  
First Principles Calculation ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

We compared the photoelectrical performance of sensitized TiO2 (001) and (101) surfaces exposed in the photoanode of dye sensitized solar cells based on first-principles calculation.

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

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