Photoluminescence spectra of thin films of ZnTPP–C60 and CuTPP–C60 molecular complexes

Elistratova, M. A.; Zakharova, I. B.; Romanov, N. M.; Panevin, V. Yu.; Kvyatkovskiĭ, O. E.

doi:10.1134/s1063782616090074

Cited by 9 publications

(8 citation statements)

References 27 publications

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“…The formation of nanowires is unlikely using standard obtaining methods. [6] Contrariwise (H 2 TPP) 3 has another ground state -"Straight stair", and a tiny difference of formation energies (0.35-0.45 kcal/mol) between the ground state and other configurations. It allows to control the growth of threedimensional formations, obtaining structures of a given configuration, including nanorods and nanowires.…”

Section: Discussionmentioning

confidence: 99%

“…Self-organized nanowires, nanorods, and other linear structures from porphyrins may be obtained as a result, which can be used in optoelectronic devices for various purposes. [6] Numerous works have experimentally shown the phenomena of both two-dimensional [7] and three-dimensional [8] self-organization of porphyrin molecules during condensation on various substrates. However, the reasons of this behavior have not been studied in detail.…”

Section: Introductionmentioning

confidence: 99%

“…Earlier, we showed that the phenomenon of self-organization can manifest itself in different ways depending on external factors introduced by the experimenter (production method, type of substrate, etc.). [9] At the same time, the growth of linear self-organized structures is difficult for some others porphyrins (ZnTPP [6] ) made by any production methods. The goal of this work was to explain the self-organization properties of some teraphenylporphyrins using quantum chemical calculations.…”

Section: Introductionmentioning

confidence: 99%

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Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Elistratova¹,

Zakharova²,

Kvyatkovskiĭ³

2019

MHC

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The optimal geometry of molecules of tetraphenylporphyrin (H 2 TPP), its zinc complex (ZnTPP) and their dimers and trimers, as well as the HOMO-LUMO energy gap and the binding energies of the complexes, and some other parameters were calculated by quantum chemical method. The calculations of the electronic structure of (MeTPP) n complexes were carried out in the framework of the density functional theory with the B3LYP hybrid functional using MOLCAO SCF with atomic sets of basic Gaussian functions 6-311G (2df, 2pd) with polarizing d and f functions. The difference in energy gain during the formation of dimers and trimers gave an explanation of the self-organization features of different types of porphyrins. The connection between configurations of the basic states of trimers and self-organization properties of selected materials is presented. An explanation of the relationship between the type of porphyrin and its self-organization properties is given. The ground states of the ZnTPP and H 2 TPP trimers have different geometry configuration-"Zig-zag" for ZnTPP and "Stairs" for H 2 TPP. Due to this fact these materials have different ability to form linear self-organized structures. The energy gain during the formation of the ZnTPP trimer with the optimal configuration is 13.23 kcal/mol, and for H 2 TPP is 7.79 kcal/mol. It was concluded that ZnTPP is not prone to self-organization into linear structures under normal crystallization conditions. Whereas the ground state of (ZnTPP) 3 has a "Zig-zag" geometry, it tends to form planar structures. The large difference between ground and minor states makes it difficult to control self-organization and the growth of nanostructures. The ground state in the geometry of the "Stairs" and the small energy difference between other (H 2 TPP) 3 configurations, on the contrary, allows growing various modifications of structures, including nanowires, with simple technological changes.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Elistratova¹,

Zakharova²,

Kvyatkovskiĭ³

2019

MHC

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“…Photoluminescence measurements of organic semiconductors is an informative method for studying the electronic spectra of semiconductors and its composites. However, the photoluminescence (PL) data taken from the same sample, but at different temperatures, concentrations and other parameters, interestingly, may have differences in the shape, position, and intensity of the spectra [5,6]. This behavior may be associated with the quenching of photoluminescence when the temperature and concentration change.…”

Section: Introductionmentioning

confidence: 99%

“…,20-tetraphenylporphyrin -H2TPP and its metal complex -ZnTPP (both Sigma-Aldrich 99 % low chlorin) were chosen as materials for research. Samples were coated by vacuum thermal evaporation on polished silicon substrates under quasi-equilibrium conditions (modified hot-wall method) [6]. Photoluminescence spectra were obtained by automated equipment based on the FHR-640 monochromator with a diffraction grating of 1200 mm -1 and the Symphony II (1024×256) Cryogenic Open -Electrode CCD detector.…”

Section: Introductionmentioning

confidence: 99%

Photoluminescence temperature quenching of H₂TPP and ZnTPP tetraphenylporphyrins thin films

Alimova

Zakharova

Elistratova

2022

J. Phys.: Conf. Ser.

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Photoluminescence temperature quenching of tetraphenylporphyrins thin films on silicon substrates have been investigated. Free-based tetraphenylporphyrin (H2TPP) and Zinc-tetraphenylporphyrin (ZnTPP) films were obtained by thermal evaporation in vacuum. The photoluminescence properties of these samples are observed in the wide temperature range from 77 to 300 K. The temperature-depended photoluminescence intensity of ZnTPP exhibits abnormal behaviour. An increase in the photoluminescence intensity is observed in the temperature range of 77-180 K. We suppose that charge carriers are trapped by non-radiative centres when the temperature decreases down to 77 K. The release of carriers occurs with a further temperature increase. In addition, there are sharp increases in the luminescence intensity of thin H2TPP and ZnTPP films at a temperature of 270 K, which are associated with a second-order phase transition.

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Fluorescence Quenching of Tetraphenylporphyrin-Fullerene Molecular Complexes

Elistratova

Koroleva

Zakharova

2020

Springer Proceedings in Physics

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Photoluminescence spectra of thin films of ZnTPP–C60 and CuTPP–C60 molecular complexes

Cited by 9 publications

References 27 publications

Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Photoluminescence temperature quenching of H₂TPP and ZnTPP tetraphenylporphyrins thin films

Fluorescence Quenching of Tetraphenylporphyrin-Fullerene Molecular Complexes

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Photoluminescence spectra of thin films of ZnTPP–C60 and CuTPP–C60 molecular complexes

Cited by 9 publications

References 27 publications

Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations

Photoluminescence temperature quenching of H2TPP and ZnTPP tetraphenylporphyrins thin films

Fluorescence Quenching of Tetraphenylporphyrin-Fullerene Molecular Complexes

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Photoluminescence temperature quenching of H₂TPP and ZnTPP tetraphenylporphyrins thin films