Novel ethynyl-pyrene substituted phenothiazine based metal free organic dyes in DSSC with 12% conversion efficiency
30 May 2017-Journal of Materials Chemistry (The Royal Society of Chemistry)-Vol. 5, Iss: 21, pp 10289-10300
TL;DR: In this article, six new dyes based on phenothiazine conjugated to an ethynyl-pyrene moiety were synthesized and characterized, and they were fabricated using these dyes with and without a co-adsorbent, chenodeoxychloicacid.
Abstract: Six new dyes based on phenothiazine conjugated to an ethynyl-pyrene moiety are synthesized and characterized. Dye-sensitized solar cells are fabricated using these dyes with and without a co-adsorbent, chenodeoxychloicacid. Simple molecular engineering around the phenothiazine moiety enabled a maximum of 12% photoconversion efficiency with one of the dyes.
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TL;DR: This review aimed to provide an overview of the three main classes of DSSC photosensitizers, namely ruthenium(II) polypyridyl complexes, Zn-porphyrin derivatives and metal-free organic dyes.
Abstract: Dye sensitized solar cells (DSSC) are considered one of the most promising photovoltaics technologies alternative to the traditional silicon based solar cells because of their compatibility with low cost manufacture methodologies, their peculiar optical and mechanical properties and their high indoor efficiency. Photosensitizers represent one of the most important part in a DSSC device and probably the most thoroughly investigated in the last twenty years, with thousands of dyes that have been proposed and tested for this kind of application. In this review we aimed to give an overview of the three main classes of DSSC photosensitizers, namely ruthenium (II) polypyridyl complexes, Zn-porphyrin derivatives and metal free organic dyes. After a brief introduction on the architecture and operational principles of a DSSC and on the state of the art of the other main components of this kind of device, we focused our discussion on photosensitizers. We defined the several requirements DSSC photosensitizers should fulfil and provided an excursus about their historical development along the years; by examining specific dyes reported in the literatures, we attempted to highlight the molecular design strategies that have been established for the optimization of their performance in actual devices both for what concerns efficiency (that recently reaches an outstanding 14.3 %) and operational stability. We finally discussed, in the last section, about the possible future developments of this intriguing technology.
184 citations
TL;DR: In this article, the effect of π-linkers and acceptors-steered modulation on electronic, photophysical and nonlinear optical properties of JK-D1-D12 was investigated.
Abstract: Herein, first attempt has been made to utilize fluorene-based dye-sensitized solar cell (DSSCs) dye JK-201 as potential nonlinear optical (NLO) material and for the theoretical designing of novel NLO chromophores JK-D1–JK-D12. DFT/TDDFT calculations were performed to compute the effect of π-linkers and acceptors-steered modulation on electronic, photophysical and NLO properties of JK-201 and JK-D1–JK-D12. Results illustrate that computed λmax (484.74 nm) and experimentally calculated λmax (481 nm) of JK-201 was found in good agreement. Maximum red shifted absorption spectrum was observed in JK-D12 with 599.38 nm. JK-D1–JK-D12 showed narrow energy gap and broader absorption spectrum as compared to JK-201. NBO analysis confirmed the formation of charge separation state due to robust range of electrons/charge transfer from donor to acceptor via π-bridge. Giant NLO response was observed in all compounds. Particularly, JK-D12 displayed surprisingly large 〈α〉 and βtot computed 1376.74 (a.u.) and 405,731.84 (a.u.) respectively. Although literature is flooded with D–π–A compounds investigated for their DSSCs properties, but research reports on their NLO properties and utilization as NLO materials are completely deserted. Our research will open new horizons to explore DSSCs materials for NLO applications. This theoretical framework also exposed that fluorene-substituted chromophores are excellent NLO candidates for modern hi-tech applications.
96 citations
TL;DR: In this article, the authors describe the working principle, recent progress of dye-sensitized solar cells, including photoanodes, sensitizers, electrolytes, and counter electrodes, and the use of DSSCs in energy storage, targeting DSSC and supercapacitor (SC) integrated devices.
80 citations
TL;DR: In this article, eight donor-π-acceptor organic dyes namely M1-M8 have been theoretically investigated for their potential in optoelectronic properties, including Indolo[3,2,1-jk] carbazole as core donor unit and end capped cyanoacrylic acid as acceptor unit.
Abstract: Herein, eight new donor-π-acceptor organic dyes namely M1–M8 have been theoretically investigated for their potential in optoelectronic properties. The M1–M8 were designed through structural modification of π-conjugated bridge of reference reported molecule IC2. The designed molecules contain Indolo[3,2,1-jk]carbazole as core donor unit and end capped cyanoacrylic acid as acceptor unit. DFT and TDDFT calculations using B3LYP, CAM-B3LYP, ωB97XD and M062X functional were performed to evaluate the photophysical and photovoltaic properties. Results indicate that HOMO–LUMO energy gaps in M1–M8 have been found smaller than IC2. Among all, M7 is a material with lowest energy gap 2.61 eV, red shifted absorption wavelength value 436 nm. Results of the calculated redox potential of the ground state, vertical excitation energy of the dye, oxidation potential of the dye in the excited state, free energy change for electron injection, dye regeneration and open circuit photovoltage and light harvesting efficiency indicates that π-bridges in M1–M8 would show better power conversion efficiency than IC2. Especially, dye M7 with π-bridge 5-(thiazol-5yl)thiazole is found to be the most promising candidate for highly effective DSSCs properties. This theoretical framework may provide new ways for experimentalists to design high-performance DSSCs materials for optoelectronic applications.
67 citations
TL;DR: In this article, the effect of spacers and acceptors on the electronic, photophysical, and nonlinear optical properties of D-π-A based NLO molecules (DTA1-DTA12) were investigated for different simulation analyses.
50 citations
References
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84,646 citations
TL;DR: In this article, the authors describe a photovoltaic cell, created from low-to medium-purity materials through low-cost processes, which exhibits a commercially realistic energy-conversion efficiency.
Abstract: THE large-scale use of photovoltaic devices for electricity generation is prohibitively expensive at present: generation from existing commercial devices costs about ten times more than conventional methods1. Here we describe a photovoltaic cell, created from low-to medium-purity materials through low-cost processes, which exhibits a commercially realistic energy-conversion efficiency. The device is based on a 10-µm-thick, optically transparent film of titanium dioxide particles a few nanometres in size, coated with a monolayer of a charge-transfer dye to sensitize the film for light harvesting. Because of the high surface area of the semiconductor film and the ideal spectral characteristics of the dye, the device harvests a high proportion of the incident solar energy flux (46%) and shows exceptionally high efficiencies for the conversion of incident photons to electrical current (more than 80%). The overall light-to-electric energy conversion yield is 7.1-7.9% in simulated solar light and 12% in diffuse daylight. The large current densities (greater than 12 mA cm-2) and exceptional stability (sustaining at least five million turnovers without decomposition), as well as the low cost, make practical applications feasible.
26,457 citations
TL;DR: In this article, a new hybrid exchange-correlation functional named CAM-B3LYP is proposed, which combines the hybrid qualities of B3LYP and the long-range correction presented by Tawada et al.
10,882 citations
TL;DR: Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency as mentioned in this paper, and many DSC research groups have been established around the world.
Abstract: Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...
8,707 citations