An efficient merocyanine/zinc phthalocyanine tandem solar cell

Steinmann, Vera; Umbach, Thorsten Erich; Schädel, M.; Krumrain, J.; Lenze, Martin R.; Bürckstümmer, Hannah; Würthner, Frank; Meerholz, Klaus

doi:10.1016/j.orgel.2013.03.032

Cited by 10 publications

(12 citation statements)

References 19 publications

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“…[5][6][7][8] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 org. b) org.…”

Section: Correlation Between Electronic Structures and Exciton Reorgaunclassified

“…From these quantities the ܿ ଶ value can be calculated as [3][4][5][6][7][8][14][15][16][17][18][19][20][21][22][23] c 2 = ½ [1-∆μ (4(μ ag ) 2 + ∆μ 2 ) -1/2 ]…”

Section: Introductionmentioning

confidence: 99%

“…6,8 The first one contains the dicyanovinylindanedione heterocyclic acceptor unit (MD376) for which a number of derivatives could be developed that show power conversion efficiencies (PCEs) up to 6.1 % in combination with C 60 fullerene acceptors. [5][6][7] The second one contains a pyridinedione heterocyclic acceptor unit (MD353) which also provided decent BHJ solar cells (PCEs up to 3.1%) 8 with relates to our formerly investigated best photorefractive dyes with perfect cyanine-type absorption spectra. 15 In our study we first compared calculated VB weights with experimentally deduced c²-values of the merocyanines MD353 and MD376, respectively.…”

Section: Introductionmentioning

confidence: 99%

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Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

et al. 2015

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We present an analysis of the optoelectronic properties of merocyanine dyes by means of VBSCF, TDDFT and high-level ab initio calculations. The electronic structure of merocyanines can be described as a superposition of two resonance structures, a neutral and zwitterionic one. Calculated VB weights for these resonance structures demonstrate the importance of strong accepting groups in increasing the weight of the zwitterionic structures of different merocyanines. The dependence of exciton and charge reorganization energies on the VB weights' composition is analyzed, demonstrating that the special case of equal contributions of both structures, the so-called cyanine limit, goes along with minimal exciton and charge reorganization energies. For the latter, it is shown that the external (outer-sphere) reorganization energy plays a crucial role. Furthermore, a careful investigation of the excited-state behavior of merocyanines indicates that a possible excited-state torsion might be another important parameter for merocyanine-based optoelectronic devices, while internal (innersphere) charge reorganization energies of a variety of merocyanines are in a typical range for molecular semiconductors.

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Section: Correlation Between Electronic Structures and Exciton Reorgaunclassified

“…From these quantities the ܿ ଶ value can be calculated as [3][4][5][6][7][8][14][15][16][17][18][19][20][21][22][23] c 2 = ½ [1-∆μ (4(μ ag ) 2 + ∆μ 2 ) -1/2 ]…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

et al. 2015

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“…Merocyanines constitute an important class of molecules due to their versatile applicability, e.g., in organic photovoltaics (27) or optical data storage (28). To ensure the functionality in such applications, a profound spectroscopic characterization is crucial to obviate photochemical loss channels that would lower the efficiency of the device.…”

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confidence: 99%

Multidimensional spectroscopy of photoreactivity

Ruetzel¹,

Diekmann²,

Nuernberger³

et al. 2014

Proc. Natl. Acad. Sci. U.S.A.

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Coherent multidimensional electronic spectroscopy is commonly used to investigate photophysical phenomena such as light harvesting in photosynthesis in which the system returns back to its ground state after energy transfer. By contrast, we introduce multidimensional spectroscopy to study ultrafast photochemical processes in which the investigated molecule changes permanently. Exemplarily, the emergence in 2D and 3D spectra of a cross-peak between reactant and product reveals the cis-trans photoisomerization of merocyanine isomers. These compounds have applications in organic photovoltaics and optical data storage. Cross-peak oscillations originate from a vibrational wave packet in the electronically excited state of the photoproduct. This concept isolates the isomerization dynamics along different vibrational coordinates assigned by quantum-chemical calculations, and is applicable to determine chemical dynamics in complex photoreactive networks.photoreactive processes | ultrafast spectroscopy | 2D spectroscopy | vibrational coherence A basic objective of physical chemistry is to determine the mechanisms underlying chemical reactions. Fundamental insights into these are provided by femtosecond time-resolved spectroscopy, even below the timescale of molecular vibrations (1). The major challenge of ultrafast photochemistry is to identify isolated signatures of reactants, intermediates, and products, whose spectral bands often overlap. Here we show that such ambiguities are unraveled by coherent multidimensional electronic spectroscopy, e.g., 2D and 3D spectroscopy, where the correlation of a system's excitation and emission frequencies is measured separating features that otherwise superpose. We detect photoreactivity directly via cross-peaks in multidimensional spectra. This opens the broad field of femtochemistry (1) to the multidimensional concept.Two-dimensional electronic spectroscopy (2-5) was primarily implemented for studying photophysical phenomena such as energy transfer in multichromophore light-harvesting systems or other excitonically coupled systems (6-11). Recently, charge transfer has also been investigated (12, 13). Here we are interested in photochemical processes leading to ground-state product species with a molecular configuration that is different from the initial reactant. As a general extension of 2D spectroscopy, 3D representations provide an even more detailed picture. Coherent 3D spectroscopy has been introduced to infrared spectroscopy (14, 15), and recently to electronic spectroscopy for isolating excitonic coherences (16, 17), for liquid-and gas-phase model systems (18)(19)(20), and for analyzing photosynthetic lightharvesting (21,22). Regarding these approaches, one has to differentiate between fifth-order experiments (14, 15, 19) for effects of higher nonlinearity (e.g., three-point frequency-fluctuation correlation functions) (14) and third-order techniques (20)(21)(22)(23)(24), as demonstrated here to unravel photochemical reactions.The principal idea of multidimensional spectrosc...

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“…Moreover, the optical and electrochemical properties of these compounds can be easily tuned by changing the chemical structure . Merocyanine dyes have been successfully applied as donor materials in OSCs . Steinmann et al reached a power conversion efficiency ( PCE ) of 6.1 % by using the merocyanine dye HB194 in a simple layer stack bulk heterojunction vacuum‐processed solar cell.…”

Section: Introductionmentioning

confidence: 99%

Heteroquinoid Merocyanine Dyes with High Thermal Stability as Absorber Materials in Vacuum‐Processed Organic Solar Cells

et al. 2019

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A series of heteroquinoid merocyanine dyes with an extended π‐system as well as lower homologues (bearing varied donor units such as benzothiazolylidene and 4H‐pyran‐4‐ylidene) were synthesized, and their thermal, optical and electrochemical properties were investigated. The dyes exhibit a variety of features that are desirable for solar cell production. These include strong absorption coefficients (up to 67.000 L M–1 cm–1), broad Vis/NIR absorption bands, frontier molecular orbital energies suitable for electron transfer to C60, and electronic gaps ranging from 0.90 to 1.74 eV. Owing to their high thermal stability, the dyes can be sublimated in high yields. For three of the dyes, the packing arrangements in the solid state by single‐crystal X‐ray analysis were examined. The photovoltaic characteristics of the most promising thienoquinoid merocyanine dye was investigated in devices using C60 as acceptor material. In an optimized vacuum‐processed device, a PCE of 3.6 % was achieved.

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An efficient merocyanine/zinc phthalocyanine tandem solar cell

Cited by 10 publications

References 19 publications

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

Multidimensional spectroscopy of photoreactivity

Heteroquinoid Merocyanine Dyes with High Thermal Stability as Absorber Materials in Vacuum‐Processed Organic Solar Cells

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