Natural Polymers for Dye‐Sensitized Solar Cells: Electrolytes and Electrodes

Bella, Federico; Gerbaldi, Claudio

doi:10.1002/0471440264.pst646

Cited by 4 publications

(5 citation statements)

References 40 publications

(37 reference statements)

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“…Dye-sensitized solar cells (DSSCs) were initiated after their first report by O’Regan and Grätzel in 1991, − and with this rapid development was observed in the DSSC owing to their low-cost materials, flexible designs, high performance, and stability under low- or diffuse light conditions . The research efforts are mainly focused on tailoring the efficiency and stability by designing new sensitizers, − modifying the semiconductor band gap, , and optimizing the redox couple, dye absorbance, and counter electrodes .…”

Section: Introductionmentioning

confidence: 99%

Photoexcited Intramolecular Charge Transfer in Dye Sensitizers: Predictive In Silico Screening for Dye-Sensitized Solar Cell Devices

2022

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Efficient photoinduced intramolecular charge transfer (ICT) from donor to acceptor in dye molecules is the functional basis and key property in the working of a dye-sensitized solar cell (DSSC). To understand the ICT process in photoexcited dye molecules, we analyze the electronic properties and structural parameters of a chosen set of experimentally synthesized donor–acceptor (D–A) and donor−π-spacer−acceptor (D−π–A) type dye molecules in their ground, excited, and cationic states. The correlation between structural modification and charge redistribution in different parts of the molecule helps to identify the extent of π-conjugation and spatial rearrangement of electron density localization along the molecular skeleton. We find that prominent twisting of several groups and the resulting molecular bond rearrangements in larger parts of the molecule promote efficient donor to acceptor ICT, such as in D–A type ADEKA1 and C275 dyes. Thus, based on the modest computation of structural and electronic properties of dye molecules in their respective ground, excited, and cationic states, we identify the desired structural changes that facilitate tunable intramolecular charge transfer to highlight a simple and direct prescription to screen out probable efficient dye molecules among many samples. Our approach complements recent experimental evidence of capturing the structural view of the excited-state charge transfer in molecules.

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Section: Introductionmentioning

confidence: 99%

Photoexcited Intramolecular Charge Transfer in Dye Sensitizers: Predictive In Silico Screening for Dye-Sensitized Solar Cell Devices

2022

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“…However, in light of the effective industrialization of this technology, sustainability should be taken into consideration as an necessary keyword [44]. At the present time, DSSCs are finding a "new way back" to sustainability, since many reports have focused on the preparation of green and economical materials to replace the standard substances [13,[45][46][47][48]. Moreover, the possibility of using recycled materials has been exploited [49,50].…”

Section: Introductionmentioning

confidence: 99%

“…Furthermore, the macrodipole moment obtained from the vector sum of the individual peptide dipoles in the α-helical secondary structure generates an intrinsically polar macromolecule (Figure 2), which has been demonstrated to notably accelerate ET reactions in the same direction of the generated electric field, both in the solution [56,57] and on the surface [58]. [13,[45][46][47][48]. Moreover, the possibility of using recycled materials has been exploited [49,50].…”

Section: Introductionmentioning

confidence: 99%

Peptide Materials in Dye Sensitized Solar Cells

et al. 2022

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In September 2015, the ONU approved the Global Agenda for Sustainable Development, by which all countries of the world are mobilized to adopt a set of goals to be achieved by 2030. Within these goals, the aim of having a responsible production and consumption, as well as taking climate action, made is necessary to design new eco-friendly materials. Another important UN goal is the possibility for all the countries in the world to access affordable energy. The most promising and renewable energy source is solar energy. Current solar cells use non-biodegradable substrates, which generally contribute to environmental pollution at the end of their life cycles. Therefore, the production of green and biodegradable electronic devices is a great challenge, prompted by the need to find sustainable alternatives to the current materials, particularly in the field of dye-sensitized solar cells. Within the green alternatives, biopolymers extracted from biomass, such as polysaccharides and proteins, represent the most promising materials in view of a circular economy perspective. In particular, peptides, due to their stability, good self-assembly properties, and ease of functionalization, may be good candidates for the creation of dye sensitized solar cell (DSSC) technology. This work shows an overview of the use of peptides in DSSC. Peptides, due to their unique self-assembling properties, have been used both as dyes (mimicking natural photosynthesis) and as templating materials for TiO2 morphology. We are just at the beginning of the exploitation of these promising biomolecules, and a great deal of work remains to be done.

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“…Dye-sensitized solar cells (DSSCs) were initiated after their first report by O'Regan and Graẗzel in 1991, 1−3 and with this rapid development was observed in the DSSC owing to their low-cost materials, 4 flexible designs, 5 high performance, and stability under low-or diffuse light conditions. 6 The research efforts are mainly focused on tailoring the efficiency and stability by designing new sensitizers, 7−9 modifying the semiconductor band gap, 10,11 and optimizing the redox couple, 12 dye absorbance, 13 and counter electrodes.…”

Section: ■ Introductionmentioning

confidence: 99%

Photo-excited Intramolecular Charge Transfer In Dye Sensitizers : Predictive In-silico Screening for Dye Sensitized Solar Cell Devices

Chordiya

Ali

Kahaly

2021

Preprint

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Efficient photo-induced intramolecular charge transfer (ICT) from donor to acceptor in dye molecules is the functional basis and key property in the working of dye-sensitized solar cell (DSSC). To understand the ICT process in photo-excited dye molecules, we analyse the electronic properties and structural parameters of a chosen set of experimentally synthesized donor-acceptor (D-A) and donor-$\pi$--spacer-acceptor (D-$\pi$-A) type dye molecules in their ground, excited and cationic states. The correlation between structural modification and charge redistribution in different parts of the molecule helps to identify the extent of $\pi$-conjugation and spatial rearrangement of electron density localization along the molecular skeleton. We find that prominent twisting of several groups and resulting molecular bond rearrangements in larger parts of the molecule promotes efficient donor to acceptor ICT, such as in D-A type, ADEKA1 and C275 dyes. Thus based on modest computation of structural and electronic properties of dye molecules in their respective ground, excited and cationic states, we identify the desired structural changes that facilitate tunable intramolecular charge transfer to highlight a simple and direct prescription to screen out probable efficient dye molecules among many samples. Motivated by recent experimental evidence of capturing the structural view of the excited-state charge transfer in molecules, we provide a fresh outlook towards predictive and systematic computational screening and design of dye molecules, complementing parallel experimental approaches in the development of state-of-the-art DSSC.

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Natural Polymers for Dye‐Sensitized Solar Cells: Electrolytes and Electrodes

Cited by 4 publications

References 40 publications

Photoexcited Intramolecular Charge Transfer in Dye Sensitizers: Predictive In Silico Screening for Dye-Sensitized Solar Cell Devices

Photoexcited Intramolecular Charge Transfer in Dye Sensitizers: Predictive In Silico Screening for Dye-Sensitized Solar Cell Devices

Peptide Materials in Dye Sensitized Solar Cells

Photo-excited Intramolecular Charge Transfer In Dye Sensitizers : Predictive In-silico Screening for Dye Sensitized Solar Cell Devices

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