Insights into the role of D‐A‐π‐A type pro‐aromatic organic dyes with thieno[3,4‐b]pyrazine as A acceptor group into dye‐sensitized solar‐cells. A TD‐DFT/periodic DFT study

2019 ◽  
Vol 120 (5) ◽  
Author(s):  
Katherine Paredes‐Gil ◽  
Dayán Páez‐Hernández ◽  
Ramiro Arratia‐Pérez ◽  
Fernando Mendizábal
Keyword(s):  
Solar Cells ◽  
Organic Dyes ◽  
Dye Sensitized Solar Cells ◽  
Dft Study ◽  
Dye Sensitized ◽  
Acceptor Group ◽  
Td Dft ◽  
Sensitized Solar Cells ◽  
Periodic Dft

scholarly journals Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Quantum Chemical ◽  
Dye Sensitized Solar Cells ◽  
Optoelectronic Properties ◽  
Dft Study ◽  
Zinc Phthalocyanine ◽  
Dye Sensitized ◽  
Td Dft ◽  
Quantum Chemical Approach ◽  
Sensitized Solar Cells

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.

Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

2012 ◽  
Vol 14 (1) ◽  
pp. 225-233 ◽  
Author(s):  
Rocío Sánchez-de-Armas ◽  
Miguel Ángel San Miguel ◽  
Jaime Oviedo ◽  
Javier Fdez. Sanz
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Dft Study ◽  
Coumarin Derivatives ◽  
Dye Sensitized ◽  
Td Dft ◽  
Sensitized Solar Cells

POM-based dyes featuring rigidified bithiophene π linkers: potential high-efficiency dyes for dye-sensitized solar cells

2020 ◽  
Vol 44 (21) ◽  
pp. 8996-9003
Author(s):  
Yu Gao ◽  
Wei Guan ◽  
Li-Kai Yan ◽  
Yan-Hong Xu
Keyword(s):  
Solar Cells ◽  
Density Functional ◽  
High Efficiency ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Acceptor Group ◽  
Td Dft ◽  
C And N ◽  
Sensitized Solar Cells

A series of POM-based dyes with a triphenylamine electron donor group, cyanoacrylic acid electron acceptor group and different π linkers of thiophene derivatives were systematically investigated to analyze the influence of a rigidified bithiophene with fastening atoms (C and N) on the performance of dye-sensitized solar cells (DSSCs) based on density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations.

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