scholarly journals Efficiency-limiting processes in cyclopentadithiophene-bridged donor-acceptor-type dyes for solid-state dye-sensitized solar cells

2018 ◽  
Vol 148 (4) ◽  
pp. 044703 ◽  
Author(s):  
Felix Hinkel ◽  
Yoojin M. Kim ◽  
Yulian Zagraniarsky ◽  
Florian Schlütter ◽  
Denis Andrienko ◽  
...  
2006 ◽  
Vol 90 (5) ◽  
pp. 549-573 ◽  
Author(s):  
Bin Li ◽  
Liduo Wang ◽  
Bonan Kang ◽  
Peng Wang ◽  
Yong Qiu

Molecules ◽  
2020 ◽  
Vol 25 (1) ◽  
pp. 198 ◽  
Author(s):  
Michèle Chevrier ◽  
Alberto Fattori ◽  
Laurent Lasser ◽  
Clément Kotras ◽  
Clémence Rose ◽  
...  

Chlorophyll a derivatives were integrated in “all solid-state” dye sensitized solar cells (DSSCs) with a mesoporous TiO2 electrode and 2′,2′,7,7′-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene as the hole-transport material. Despite modest power conversion efficiencies (PCEs) between 0.26% and 0.55% achieved for these chlorin dyes, a systematic investigation was carried out in order to elucidate their main limitations. To provide a comprehensive understanding of the parameters (structure, nature of the anchoring group, adsorption …) and their relationship with the PCEs, density functional theory (DFT) calculations, optical and photovoltaic studies and electron paramagnetic resonance analysis exploiting the 4-carboxy-TEMPO spin probe were combined. The recombination kinetics, the frontier molecular orbitals of these DSSCs and the adsorption efficiency onto the TiO2 surface were found to be the key parameters that govern their photovoltaic response.


2019 ◽  
Vol 7 (7) ◽  
pp. 7403-7411 ◽  
Author(s):  
Shanmuganathan Venkatesan ◽  
I-Ping Liu ◽  
Chiao-Wei Li ◽  
Chih-Mei Tseng-Shan ◽  
Yuh-Lang Lee

2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
Reda M. El-Shishtawy ◽  
Shaaban A. Elroby ◽  
Abdullah M. Asiri ◽  
Rifaat H. Hilal

In an effort to provide, assess, and evaluate a theoretical approach which enables designing efficient donor-acceptor dye systems, the electronic structure and optical properties of pyran-squaraine as donor-acceptor dyes used in dye-sensitized solar cells were investigated. Ground state properties have been computed at the B3LYP/6-31+G**level of theory. The long-range corrected density functionals CAM-B3LYP, PBEPBE, PBE1PBE (PBE0), and TPSSH with 6-311++G**were employed to examine absorption properties of the studied dyes. In an extensive comparison between experimental results and ab initio benchmark calculations, the TPSSH functional with 6-311++G**basis set was found to be the most appropriate in describing the electronic properties for the studied pyran and squaraine dyes. Natural transition orbitals (NTO), frontier molecular orbitals (FMO), LUMO, HOMO, and energy gaps, of these dyes, have been analyzed to show their effect on the process of electron injection and dye regeneration. Interaction between HOMO and LUMO of pyran and squaraine dyes was investigated to understand the recombination process and charge-transfer process involving these dyes. Additionally, we performed natural bond orbital (NBO) analysis to investigate the role of charge delocalization and hyperconjugative interactions in the stability of the molecule.


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