Effects of oxygen on exciton transport in zinc phthalocyanine layers

Kerp, H.; Faassen, Ernst E. van

doi:10.1016/s0009-2614(00)01227-6

Cited by 56 publications

(18 citation statements)

References 14 publications

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“…Since then on, numerous complexes of transition metal ions with phthalocyanine molecule (Pc), which contains eight nitrogen atoms, four pyrrole subunits joined with four azomethine bridges, and four benzene rings, have been commonly used as pigments and dyes [3][4][5][6][7]. Apart from basic research, various phthalocyanine derivatives, including MPcs, have been used as semiconductors, optoelectronic materials, catalysts, and photosensibilizers in photodynamic therapy (PDT) against cancer and as contrast agents in medical diagnostics in magnetic resonance imaging [3][4][5][6][7][8][9][10][11][12][13][14][15]. In regard to the latter applications, solubility in water is an important factor for the biologically active compounds [16].…”

Section: Introductionmentioning

confidence: 99%

Solvent impact on the planarity and aromaticity of free and monohydrated zinc phthalocyanine: a theoretical study

2017

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A theoretical investigation on the planarity of molecular structure of zinc phthalocyanine (ZnPc) and its aromaticity has been performed using B3LYP and M06-2X density functionals combined with selected Pople-type basis sets. The effect of the applied calculation method on the optimized structure of ZnPc and ZnPc•••H 2 O, both in the gas phase and in the polar solvent, was analyzed. To quantify the aromaticity of the ZnPc and ZnPc•••H 2 O complexes, both the geometric and magnetic criteria, i.e., Harmonic Oscillator Model of Aromaticity (HOMA) index and the nucleus-independent chemical shift (NICS) values at the centers or 1 Å above the centers of structural subunits, were calculated. The energies of highest energy occupied molecular orbital (HOMO) and lowest energy unoccupied molecular orbital (LUMO) and energy gaps were also estimated. The results show that the free ZnPC molecule is flat in the gas phase and nonplanar in the polar environments (DMSO and water). ZnPC•••H 2 O is nonpolar in the gas phase and polar solvent which is in agreement with recent X-ray reports. Both HOMA and NICS indexes indicate the presence of highly aromatic macrocycle and benzene rings while these parameters for pyrrolic ring are significantly smaller than in free pyrrole. The presence of polar solvents practically does not change aromaticity of the ring subunits of the studied compounds.

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Section: Introductionmentioning

confidence: 99%

Solvent impact on the planarity and aromaticity of free and monohydrated zinc phthalocyanine: a theoretical study

2017

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“…One of them are the thin layers of organic compounds based on metallophthalocyanine (MPc) deposited on a solid state substrate using different methods [1,2]. The metallophthalocyanines have attracted a great deal of attention for a wide variety of applications such as organic light emitting diodes (OLEDs), solar cells, organic field-effect transistors, molecular gas sensors, memories, and optoelectronic devices [3][4][5][6]. Metallophthalocyanines represent a large family of heterocyclic conjugated molecules with high chemical and thermal stability [7,8].…”

Section: Introductionmentioning

confidence: 99%

Orientation study of iron phthalocyanine (FePc) thin films deposited on silicon substrate investigated by atomic force microscopy and micro-Raman spectroscopy

Szybowicz

Makowiecki

2011

J Mater Sci

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In this article, we present temperature and orientation study of iron phthalocyanine (FePc) thin films with different thickness deposited on silicon substrate. The organic thin films were obtained by the quasi-molecular beam evaporation. The micro-Raman scattering spectra of FePc thin layers were investigated in the spectral range 550-1,800 cm -1 using 488-nm excitation wavelength. The Raman scattering and atomic force microscopy studies were performed at room temperature before and after annealing process. Annealing process of thin layers was carried out at 453 K for 6 h. From polarized Raman spectra using surface Raman mapping procedure the information on distribution of polymorphic phases of FePc layers has been carried out. Moreover, the obtained results showed the influence of the annealing process on the ordering of the molecular structure of thin films deposited on silicon substrate. For the very thin layers we did not observe the change of the polymorphic phase but only reordering of the thin layers and change of molecular structure to intermediate phase. Using atomic force microscopy method, we observed arrangement of the thin layers structure connected with the change of roughness of the thin layers after annealing process. The obtained results indicate that the structure of thin layer deposited on silicon substrate is strongly affected by the annealing process.

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“…A better charge-extraction efficiency should result in a higher slope at V > V OC or a lower slope at V = 0 V, both resulting in a higher fill factor. [17] Neither of the two effects is observed.…”

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confidence: 95%

Optical and Electronic Contributions in Double‐Heterojunction Organic Thin‐Film Solar Cells

Hänsel¹,

Zettl²,

Krausch³

et al. 2003

Advanced Materials

111

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evaporation was approximately 12 cm 25 cm. The defect layer was created by the designed placement of a mask on the film during evaporation.The As 2 Se 3 coated PES film was then rolled onto the PES core and the resulting preform,~2 cm in diameter, was covered with Teflon tape and consolidated at 260 C (± 5 C) under vacuum for 20 min. The pressure was decreased quickly below 5 torr within the first 5 min. The preform was then quenched in a ±20 C freezer for about 2 min to prevent crystallization and annealed initially at 150 C and then cooled slowly for~2 h. The inner glass tube was then dissolved with HF by immersing the entire preform. After complete etching, the preform was rinsed with distilled water and isopropanol and baked under vacuum at 150 C for 5 h.Fiber Drawing: Our draw tower is composed of a three-zone vertical tube furnace (Thermcraft), a motorized capstan (Heathway) to control the speed of the drawing, and laser diameter monitors (Beta LaserMike) to monitor the outer diameter of the drawn fiber. The temperature of the upper, central, and lower zones of the oven were typically around 240 C, 295 C, and 150 C, respectively, for speeds ranging between~1±10 m s ±1 . SEM: SEM was performed on small sections of fibers embedded in epoxy resin, cut by ultramicrotome (Ultracut E, Reichert-Jung) with a diamond knife to obtain a smooth surface, and gold coated using a (Denton Vacuum) sputtercoater (~10 nm thick gold coating). We used a JEOL 6320 FEGSEM with backscattered detector at 10 keV to obtain a good contrast between the PES and As 2 Se 3 layers.Ellipsometry Measurements: The refractive indices (n,k) of As 2 Se 3 and PES were measured with a broadband spectroscopic ellipsometer (Sopra GES-5) utilizing three different detectors: photomultiplier from 250 nm to 880 nm, InGaAs from 880 nm to 2 lm, and MCT-A from 2 lm to 20 lm. Corrections were used to account for the nonlinearities and polarization dependence of the detectors. The samples consisted of a film deposited on silicon substrate. As 2 Se 3 films were deposited by thermal evaporation (similarly to the fiber fabrication process) and annealed for 1 h at 180 C, whereas PES films were spin coated (Laurell Tech. Corp. WS-400 A-6 NPP/LITE) at 1500 rpm (rpm = revolutions per minute) from a polymer solution obtained by dissolving a 25 lm PES film (Goodfellow) in N,N-Dimethylformamide. For each sample, the ellipsometric parameters tanW and cosD parameters were fitted to extract the thickness of the deposited film and to calculate n and k versus wavelength using the Levenberg±Marquardt regression method with a Cauchy-like dispersion relation and additional Lorentzian absorption peaks for PES.Fourier-Transform Infrared Spectrometer (FTIR) Measurements: Reflectivity measurements were performed using a infrared microscope (Nicolet SpectraTech NicPlan) and a FTIR (Magna 860). All backgrounds were taken using a flat gold mirror. Reflectivity spectra were normalized by a factor of~1.1 to correct assumed differences between the fiber and flat background mirror geome...

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Effects of oxygen on exciton transport in zinc phthalocyanine layers

Cited by 56 publications

References 14 publications

Solvent impact on the planarity and aromaticity of free and monohydrated zinc phthalocyanine: a theoretical study

Solvent impact on the planarity and aromaticity of free and monohydrated zinc phthalocyanine: a theoretical study

Orientation study of iron phthalocyanine (FePc) thin films deposited on silicon substrate investigated by atomic force microscopy and micro-Raman spectroscopy

Optical and Electronic Contributions in Double‐Heterojunction Organic Thin‐Film Solar Cells

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