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Ivaniuk, K., Pidluzhna, A., Stakhira, P., Baryshnikov, G. V., Kovtun, Y. P., Hotra, Z., . . . Ågren, H. (2020). BODIPY-core 1,7-diphenyl-substituted derivatives for photovoltaics and OLED applications. Dyes and pigments, 175, Article ID 108123.
Open this publication in new window or tab >>BODIPY-core 1,7-diphenyl-substituted derivatives for photovoltaics and OLED applications
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2020 (English)In: Dyes and pigments, ISSN 0143-7208, E-ISSN 1873-3743, Vol. 175, article id 108123Article in journal (Refereed) Published
Abstract [en]

In the current study we demonstrate an application of four previously synthesized 1,7-diphenyl-substituted BODIPY species for inverted photovoltaic cells and for organic light-emitting devices (OLEDs). Depending on the type of substituents or annulation of the pyridone rings these dyes exhibit spectral properties in the full visible region up to the near-infrared wavelengths. All the studied compounds show very strong visible absorption that can be ascribed to the low lying LUMO levels making them electronically suitable as acceptors for many donor materials. The best fabricated inverted photovoltaic device based on the BODYPI-core derivatives demonstrates a power conversion efficiency equal to 1.36% which is close to previously published reports for related species. Two kinds of deep red OLEDs (doped and undoped) with narrow electroluminescence spectra (full width at half maximum up to 45 nm) have been fabricated. Maximum brightness of 3900 cd m−2 and an external quantum efficiency by 2.3% were achieved for the best OLED structure.

Place, publisher, year, edition, pages
Elsevier Ltd, 2020
Keywords
Efficiency, Electroluminescence, Infrared devices, Light emission, Luminance, Photoelectrochemical cells, Photovoltaic cells, Electroluminescence spectra, External quantum efficiency, Inverted photovoltaic, Near-infrared wavelength, OLED applications, Organic light-emitting devices, Power conversion efficiencies, Spectral properties, Organic light emitting diodes (OLED), Cells, Conversion, Cores, Dyes, Rings, Spectra
National Category
Theoretical Chemistry
Identifiers
urn:nbn:se:kth:diva-267944 (URN)10.1016/j.dyepig.2019.108123 (DOI)000514214600012 ()2-s2.0-85076633447 (Scopus ID)
Note

QC 20200401

Available from: 2020-04-01 Created: 2020-04-01 Last updated: 2020-04-01Bibliographically approved
Utyushev, A. D., Isaev, I. L., Gerasimov, V. S., Ershov, A. E., Zakomirnyi, V., Rasskazov, I. L., . . . Karpov, S. V. (2020). Engineering novel tunable optical high-Q nanoparticle array filters for a wide range of wavelengths. Optics Express, 28(2), 1426-1438
Open this publication in new window or tab >>Engineering novel tunable optical high-Q nanoparticle array filters for a wide range of wavelengths
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2020 (English)In: Optics Express, ISSN 1094-4087, E-ISSN 1094-4087, Vol. 28, no 2, p. 1426-1438Article in journal (Refereed) Published
Abstract [en]

The interaction of non-monochromatic radiation with arrays comprising plasmonic and dielectric nanoparticles has been studied using the finite-difference time-domain electrodynamics method. It is shown that LiNbO3, TiO2, GaAs, Si, and Ge all-dielectric nanoparticle arrays can provide a complete selective reflection of an incident plane wave within a narrow spectral line of collective lattice resonance with a Q-factor of 103 or larger at various spectral ranges, while plasmonic refractory TiN and chemically stable Au nanoparticle arrays provide high-Q resonances with moderate reflectivity. Arrays with fixed dimensional parameters make it possible to fine-tune the position of a selected resonant spectral line by tilting the array relative to the direction of the incident radiation. These effects provide grounds for engineering novel selective tunable optical high-Q filters in a wide range of wavelengths, from visible to middle-IR.

Place, publisher, year, edition, pages
Optical Society of America, 2020
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-267819 (URN)10.1364/OE.28.001426 (DOI)000513232200051 ()2-s2.0-85078505652 (Scopus ID)
Note

QC 20200303

Available from: 2020-03-03 Created: 2020-03-03 Last updated: 2020-03-16Bibliographically approved
Zhao, X., Zhang, F., Chen, H., Sheng, R., Baryshnikov, G. V., Ågren, H., . . . Zhang, H. (2020). Hydrophobic boron organic polymers: Ultra-high capacity of enrichment and storage for chloroform. Chemical Engineering Journal, 385, Article ID 123827.
Open this publication in new window or tab >>Hydrophobic boron organic polymers: Ultra-high capacity of enrichment and storage for chloroform
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2020 (English)In: Chemical Engineering Journal, ISSN 1385-8947, E-ISSN 1873-3212, Vol. 385, article id 123827Article in journal (Refereed) Published
Abstract [en]

Chloroform, a superstar widely applied as solvent, extractant, refrigerating fluid and adhesive, faces storage risks and environmental pressures. Herein, a brand-new strategy for storing and enriching chloroform is designed. It is shown that stable boron organic polymers BOPS-S3 with excellent hydrophobicity can be facilely prepared by combining Na-2[B12H12] and amphiphilic HBPB-14 molecules. The unique molecular structure of such as prepared polymers endows strong affinity with chloroform. BOPS-S3 possesses an ultra-high adsorption capacity of 46.9 g.g(-1) toward liquid chloroform, with a resulting gel that maintains a low volatilization rate. In addition, a stainless mesh coating with BOPS-S3 is shown to excellently remove chloroform vapor, likewise BOPS-S3 is shown efficient for removal of chloroform traces in water, with a residual amount lower than the allowable concentration in drinking water defined by the World Health Organization. This work provides a novel approach to store chloroform in transportation or other unstable conditions with unprecedented ramifications.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA, 2020
Keywords
Boron organic polymers, Waterproof, Chloroform storage, Chloroform removal, Water treatment
National Category
Chemical Sciences
Identifiers
urn:nbn:se:kth:diva-267141 (URN)10.1016/j.cej.2019.123827 (DOI)000507465200075 ()2-s2.0-85076713210 (Scopus ID)
Note

QC 20200217

Available from: 2020-02-17 Created: 2020-02-17 Last updated: 2020-02-17Bibliographically approved
Ledwon, P., Motyka, R., Ivaniuk, K., Pidluzhna, A., Martyniuk, N., Stakhira, P., . . . Ågren, H. (2020). The effect of molecular structure on the properties of quinoxaline-based molecules for OLED applications. Dyes and pigments, 173, Article ID 108008.
Open this publication in new window or tab >>The effect of molecular structure on the properties of quinoxaline-based molecules for OLED applications
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2020 (English)In: Dyes and pigments, ISSN 0143-7208, E-ISSN 1873-3743, Vol. 173, article id 108008Article in journal (Refereed) Published
Abstract [en]

Different donor-acceptor-donor (D-A-D) and donor-pi-bridge-acceptor-pi-bridge-donor (D-pi-A-pi-D) systems based on a quinoxaline acceptor are compared. A significant difference in electrochemical and photophysical properties was found depending on molecular structure. A luminescence shift from 539 rim up to 671 nm was observed upon extension of conjugation length. The studied compounds were tested in fluorescent organic light emitting diodes (OLEDs) demonstrating an external quantum efficiency up to 4.5% for a deep red non-doped device and 7% when doped into an exciplex host device. A quantum-chemical interpretation of the electroluminescence spectra for the fabricated OLEDs was carried out including modelling of excimers and exciplexes.

Place, publisher, year, edition, pages
ELSEVIER SCI LTD, 2020
Keywords
Quinoxaline, OLEDs, Donor-acceptor, Exciplex, Conjugation length, Organic emitter
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-266539 (URN)10.1016/j.dyepig.2019.108008 (DOI)000503312700128 ()2-s2.0-85075456173 (Scopus ID)
Note

QC 20200203

Available from: 2020-02-03 Created: 2020-02-03 Last updated: 2020-02-17Bibliographically approved
Li, X., Baryshnikov, G. V., Deng, C., Bao, X., Wu, B., Zhou, Y., . . . Zhu, L. (2019). A three-dimensional ratiometric sensing strategy on unimolecular fluorescence-thermally activated delayed fluorescence dual emission. Nature Communications, 10, Article ID 731.
Open this publication in new window or tab >>A three-dimensional ratiometric sensing strategy on unimolecular fluorescence-thermally activated delayed fluorescence dual emission
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2019 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 10, article id 731Article in journal (Refereed) Published
Abstract [en]

Visualized sensing through fluorescence signals is a powerful method for chemical and physical detection. However, the utilization of fluorescent molecular probes still suffers from lack of precise signal self-calibration in practical use. Here we show that fluorescence and thermally activated delayed fluorescence can be simultaneously produced at the single-molecular level. The thermally activated delayed fluorescence serves as a sensing signal with its wavelength and lifetime both altered correlating to polarity, whereas the fluorescence always remains unchanged as an internal reference. Upon the establishment of a three-dimensional working curve upon the ratiometric wavelength and photoluminescence lifetime vs. polarity, disturbance factors during a relevant sensing process can be largely minimized by such a multiple self-calibration. This strategy was further applied into a precise detection of the microenvironmental polarity variation in complex phospholipid systems, towards providing new insights for convenient and accurate diagnosis of membrane lesions.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP, 2019
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:kth:diva-245138 (URN)10.1038/s41467-019-08684-2 (DOI)000458567500011 ()30760723 (PubMedID)2-s2.0-85061511851 (Scopus ID)
Note

QC 20190313

Available from: 2019-03-13 Created: 2019-03-13 Last updated: 2019-06-11Bibliographically approved
Baryshnikov, G. V., Valiev, R. R., Cherepanov, V. N., Karaush-Karmazin, N. N., Minaeva, V. A., Minaev, B. F. & Ågren, H. (2019). Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family. Physical Chemistry, Chemical Physics - PCCP, 21(18), 9246-9254
Open this publication in new window or tab >>Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family
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2019 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 18, p. 9246-9254Article in journal (Refereed) Published
Abstract [en]

The electronic structure, absorption and emission spectra, aromaticity and photophysical behavior of the recently synthesized tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene compounds have been studied computationally. Both compounds demonstrate a specific bifacial aromaticity, which is unusual for hetero[8]circulenes; the inner eight-membered core sustains an expected strong paratropic magnetically-induced ring current, while the outer perimeter contains saturated Si(Et)(2) and Ge(Et)(2) moieties which break the conjugation between the thiophene rings. The overall magnetically-induced ring current for both studied circulenes is close to zero because of the strong local diatropic currents in each thiophene ring that compensate the paratropic counterpart. The electronic absorption and emission spectra of tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene demonstrate a clear visible vibronic progression. The 0-0 band is the most active one in the absorption spectra, while in the fluorescence spectra the 0-1 band composed of several normal vibrations is more intense compared with the 0-0 band in excellent agreement with experiment. Accounting for spin-orbit coupling effects, an analysis of the photophysical constants for the two compounds demonstrates: (1) a clear manifestation of the internal heavy atom effect on the inter-system crossing efficiency; (2) one to two order domination of non-radiative rates over the fluorescence rate; and (3) that the S-1-S-0 internal conversion is extremely slow and can not compete with the fluorescence, while the S-1-T-n inter-system crossing is a main deactivation channel of the S-1 excited state. These results provide new insight into the electronic structure and photophysics of tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene as novel standalone representatives of hetero[8]circulenes - tetraannelated derivatives of tetrathienylene.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2019
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-255455 (URN)10.1039/c9cp01608b (DOI)000472922500024 ()31012469 (PubMedID)2-s2.0-85065621689 (Scopus ID)
Note

QC 20190822

Available from: 2019-08-22 Created: 2019-08-22 Last updated: 2019-10-10Bibliographically approved
Bagheri, S., Liu, Q., Bergstrand, J., Pu, R., Zhan, Q., Ara, M. H., . . . Widengren, J. (2019). Change in the emission saturation and kinetics of upconversion nanoparticles under different light irradiations. Optical materials (Amsterdam), 97, Article ID 109389.
Open this publication in new window or tab >>Change in the emission saturation and kinetics of upconversion nanoparticles under different light irradiations
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2019 (English)In: Optical materials (Amsterdam), ISSN 0925-3467, E-ISSN 1873-1252, Vol. 97, article id 109389Article in journal (Refereed) Published
Abstract [en]

Nd3+-sensitized upconversion nanoparticles (UCNPs) can be excited by both 980 and 808 nm light, which is regarded as a particularly advantageous property of these particles. In this work, we demonstrate that the nanoparticles can exhibit significantly different response when excited at these two excitation wavelengths, showing dependence on the intensity of the excitation light and the way it is distributed in time. Specifically, with 808 nm excitation saturation in the emitted luminescence is more readily reached with increasing excitation intensities than upon 980 nm excitation. This is accompanied by delayed upconversion luminescence (UCL) kinetics and weaker UCL intensities. The different luminescence response at 808 and 980 nm excitation reported in this work is relevant in a manifold of applications using UCNPs as labels and sensors. This could also open new possibilities for multi-wavelength excitable UCNPs for upconversion color display and in laser-scanning microscopy providing selective readouts and sub-sectioning of samples.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Color tunability, Kinetics, Laser scanning microscopy, Saturation, Upconversion, Enzyme kinetics, Laser applications, Luminescence, Nanoparticles, Saturation (materials composition), Excitation intensity, Excitation wavelength, Multi-wavelengths, Up-conversion, Upconversion luminescence, Upconversion nanoparticles, Light
National Category
Theoretical Chemistry Atom and Molecular Physics and Optics
Research subject
Theoretical Chemistry and Biology; Physics, Theoretical Physics
Identifiers
urn:nbn:se:kth:diva-263500 (URN)10.1016/j.optmat.2019.109389 (DOI)000501396600023 ()2-s2.0-85072543021 (Scopus ID)
Funder
Swedish Research Council, 2016-03804Swedish Foundation for Strategic Research , SSF ITM17-0491ÅForsk (Ångpanneföreningen's Foundation for Research and Development), 19-424
Note

QC 20191205

Available from: 2019-12-05 Created: 2019-12-05 Last updated: 2020-01-13Bibliographically approved
Fedorov, A. S., Krasnov, P. O., Visotin, M. A., Tomilin, F. N., Polyutov, S. P. & Ågren, H. (2019). Charge-transfer plasmons with narrow conductive molecular bridges: A quantum-classical theory. Journal of Chemical Physics, 151(24), Article ID 244125.
Open this publication in new window or tab >>Charge-transfer plasmons with narrow conductive molecular bridges: A quantum-classical theory
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2019 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 151, no 24, article id 244125Article in journal (Refereed) Published
Abstract [en]

We analyze a new type of plasmon system arising from small metal nanoparticles linked by narrow conductive molecular bridges. In contrast to the well-known charge-transfer plasmons, the bridge in these systems consists only of a narrow conductive molecule or polymer in which the electrons move in a ballistic mode, showing quantum effects. The plasmonic system is studied by an original hybrid quantum-classical model accounting for the quantum effects, with the main parameters obtained from first-principles density functional theory simulations. We have derived a general analytical expression for the modified frequency of the plasmons and have shown that its frequency lies in the near-infrared (IR) region and strongly depends on the conductivity of the molecule, on the nanoparticle-molecule interface, and on the size of the system. As illustrated, we explored the plasmons in a system consisting of two small gold nanoparticles linked by a conjugated polyacetylene molecule terminated by sulfur atoms. It is argued that applications of this novel type of plasmon may have wide ramifications in the areas of chemical sensing and IR deep tissue imaging. Published under license by AIP Publishing.

Place, publisher, year, edition, pages
AMER INST PHYSICS, 2019
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-269501 (URN)10.1063/1.5131734 (DOI)000513160200031 ()31893913 (PubMedID)2-s2.0-85077389669 (Scopus ID)
Note

QC 20200309

Available from: 2020-03-09 Created: 2020-03-09 Last updated: 2020-03-09Bibliographically approved
Zakomirnyi, V., Ershov, A., Grasimov, V., Karpov, S., Ågren, H. & Rasskazov, I. (2019). Collective lattice resonances in arrays of dielectric nanoparticles: a matter of size. Optics Letters, 44(23), 5743-5746
Open this publication in new window or tab >>Collective lattice resonances in arrays of dielectric nanoparticles: a matter of size
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2019 (English)In: Optics Letters, ISSN 0146-9592, E-ISSN 1539-4794, Vol. 44, no 23, p. 5743-5746Article in journal (Refereed) Published
Abstract [en]

Collective  lattice  resonances  (CLRs)  in  finite-sized  2Darrays of dielectric nanospheres have been studied via the coupled dipole approximation. We show that even for sufficiently large arrays, up to 100×100 nanoparticles (NPs),electric or magnetic dipole CLRs may differ significantly from the ones calculated for infinite arrays with the same NP  sizes  and  interparticle  distances.  The  discrepancy  is explained  by  the  existence  of  a  sufficiently  strong  cross-interaction between electric and magnetic dipoles inducedat NPs in finite-sized lattices, which is ignored for infinite arrays.  We  support  this  claim  numerically  and  propose an analytic model to estimate a spectral width of CLRs for finite-sized arrays. Given that most of the current theoretical and numerical researches on collective effects in arrays of dielectric NPs rely on modeling infinite structures, there ported findings may contribute to thoughtful and optimal design of inherently finite-sized photonic devices.

Place, publisher, year, edition, pages
OSA - The Optical Society, 2019
Keywords
Light-Scattering, Fano Resonances, Metasurfaces, Modes, Line, Band
National Category
Other Physics Topics
Identifiers
urn:nbn:se:kth:diva-264493 (URN)10.1364/OL.44.005743 (DOI)000499141000025 ()31774768 (PubMedID)2-s2.0-85075716083 (Scopus ID)
Note

QC 20191204. QC 20200109

Available from: 2019-11-28 Created: 2019-11-28 Last updated: 2020-03-09Bibliographically approved
Zakomirnyi, V., Karpov, S. V., Ågren, H. & Rasskazov, I. L. (2019). Collective lattice resonances in disordered and quasi-random all-dielectric metasurfaces. Journal of the Optical Society of America. B, Optical physics, 36(7), E21-E29
Open this publication in new window or tab >>Collective lattice resonances in disordered and quasi-random all-dielectric metasurfaces
2019 (English)In: Journal of the Optical Society of America. B, Optical physics, ISSN 0740-3224, E-ISSN 1520-8540, Vol. 36, no 7, p. E21-E29Article in journal (Refereed) Published
Abstract [en]

Collective lattice resonances in disordered 2D arrays of spherical Si nanoparticles (NPs) have been thoroughly studied within the framework of the coupled dipole approximation. Three types of defects have been analyzed: positional disorder, size disorder, and quasi-random disorder. We show that the positional disorder strongly suppresses either the electric dipole (ED) or the magnetic dipole (MD) coupling, depending on the axis along which the NPs are shifted. Contrarily, size disorder strongly affects only the MD response, while the ED resonance can be almost intact, depending on the lattice configuration. Finally, random removing of NPs from an ordered 2D lattice reveals a quite surprising result: hybridization of the ED and MD resonances with lattice modes remains observable even in the case of random removing of up to 84% of the NPs from the ordered array. The reported results could be important for rational design and utilization of metasurfaces, solar cells, and other alldielectric photonic devices. 

Place, publisher, year, edition, pages
Optics Info Base, Optical Society of America, 2019
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-255429 (URN)10.1364/JOSAB.36.000E21 (DOI)000473321200004 ()2-s2.0-85069600603 (Scopus ID)
Note

QC 20190815

Available from: 2019-08-15 Created: 2019-08-15 Last updated: 2019-11-29Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-1763-9383

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