Efficiency difference between furan- and thiophene-based D–π–A dyes in DSSCs explained by theoretical calculations
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چکیده
منابع مشابه
Thiophene-Based Azo Dyes and Their Applications in Dyes Chemistry
The thiophene-based azo dyes class of azo dyes have generated considerable interest since its discovery 62 years ago. These dyes have come to be applied to a very large number and variety of fibres and have therefore achieved an importance which is probably greater than the weights used would suggest. The connection between dyeing and fastness properties on the one hand and chemical constitutio...
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A series of quinoidal thiophene based dye molecules were designed and their optoelectronic properties were studied for dye sensitized solar cell (DSSC) applications. The efficiency of the designed dye molecules was analyzed using various parameters such as the HOMO-LUMO energy gap, absorption spectra, light harvesting efficiency (LHE), exciton biding energy (Eb) and free energy change for elect...
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A theoretical exploration on electronically excited states of protonated furan and thiophene.
The geometry, electronic structures and potential energy profiles of protonated furan and thiophene have been extensively investigated, using the RI-MP2 and RI-CC2 methods. According to RI-CC2 calculated results, the adiabatic S1((1)ππ*)-S0 transition energies of protonated furan and thiophene, have been predicted to be 4.41 eV and 3.70 eV respectively. Thus, protonation is accompanied by a lar...
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ژورنال
عنوان ژورنال: RSC Advances
سال: 2018
ISSN: 2046-2069
DOI: 10.1039/c8ra04450c