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Wyniki wyszukiwania dla: FULERENY
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Unveiling of polymer/fullerene blend films morphology by ellipsometrically determined optical order within polymer and fullerene phases
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Energy landscape and structural transformations of C38 penta-fullerene: The stabilizing role of octagons and insights into penta-octa-penta-fullerene
PublikacjaTheoretical investigations were conducted to study the stability and energy landscape of C38 penta-fullerene, a structure comprising six penta-graphene unit cells. Vibrational analysis at the B3LYP/def2SVP level revealed 18 negative frequencies, indicating the dynamic instability of penta-fullerene. Analyzing the energy profiles for these vibrational modes led to the identification of six energetically favourable isomers, featuring...
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Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution
PublikacjaThe spectroscopy and dynamic behavior of the self-assembled, Soret-excited zinc tetraphenylporphyrin (ZnTPP) plus fullerene (C60) model system in solution has been examined using steady state fluorescence quenching, nanosecond time-correlated single photon counting, picosecond fluorescence upconversion, and picosecond transient absorption methods. Evidence of ground state complexation is presented. Steady-state quenching of the...
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In situ observations of fullerene fusion and ejection in carbon nanotubes
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Cytotoxicity of doxorubicin conjugated with C60 fullerene. Structural and in vitro studies
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Influence of C60and Fullerene Soot on the Oxidation Resistance of Vegetable Oils
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Phase behavior of π-conjugated polymer and non-fullerene acceptor (PTB7-Th:ITIC) solutions and blends
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Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives
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Surface modification of PMMA polymer and its composites with PC61BM fullerene derivative using an atmospheric pressure microwave argon plasma sheet
PublikacjaThis paper presents the results of experimental investigations of the plasma surface modification of a poly(methyl methacrylate) (PMMA) polymer and PMMA composites with a [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PC61BM). An atmospheric pressure microwave (2.45 GHz) argon plasma sheet was used. The experimental parameters were: an argon (Ar) flow rate (up to 20 NL/min), microwave power (up to 530 W), number...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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<p>Mechano-signalling, induced by fullerene C<sub>60</sub> nanofilms, arrests the cell cycle in the G2/M phase and decreases proliferation of liver cancer cells</p>
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Variable Temperature Spectroscopic Ellipsometry as a Tool for Insight into the Optical Order in the P3HT:PC70BM and PC70BM Layers
PublikacjaTwo combined ellipsometric techniques—variable angle spectroscopic ellipsometry (VASE) and variable temperature spectroscopic ellipsometry (VTSE)—were used as tools to study the surface order and dielectric properties of thin films of a poly(3-hexylthiophene-2,5-diyl) (P3HT) mixture with a fullerene derivative (6,6-phenyl-C71-butyric acid methyl ester) (PC70BM). Under the influence of annealing, a layer of the ordered PC70BM...
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Anna Dołęga prof. dr hab. inż.
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Jan Hupka prof. dr hab. inż.
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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Hückel i Möbius - zjawisko aromatyczności dawniej i dziś
PublikacjaPojęcie aromatyczności zagościło w chemii, kiedy to August W. Hofmann użył go do opisu pewnej grupy kwasów karboksylowych. W 1856 ukazał się jego artykuł "On insolinic acid", gdzie opisywał on utlenianie kwasu kuminowego kwasem chromowym. Stwierdzenie "kwasy aromatyczne" pojawia się tam dwukrotnie, jednak bez żadnego wyjaśnienia. Z czasem wszystkie związki o wysokim stopniu nienasycenia oraz nadzwyczajnej trwałości (czyt. pochodne...