Results 91 to 100 of about 27,503 (307)

Harnessing the Orientation of Columnar Discotic Liquid Crystals for Narrowband Blue Emission with Enhanced Out‐Coupling Efficiency Toward Improvement of SP‐OLEDs Performance

open access: yesAdvanced Functional Materials, EarlyView.
Solution‐processed OLEDs containing discotic liquid‐crystalline MR‐TADF emitters are reported. Supramolecular self‐assembly induces homeotropic columnar alignment, enforcing preferential horizontal orientation of the emitter transition dipole moment in spin‐coated films, which leads to an enhancement in the device light outcoupling efficiency while ...
Joydip De   +6 more
wiley   +1 more source

Thermally Activated Delayed Fluorescence in Phase‐Separated Nanostructures

open access: yesAdvanced Functional Materials, EarlyView.
A supramolecular, phase‐separation driven strategy yields charge transfer (CT) complexes from alternating electron‐deficient pyromellitic diimide and electron‐rich 4,5‐dibromoveratrole. The resulting CT complexes self‐assemble into lamellar nanosheets with nanometer‐sized domains that exhibit thermally activated delayed fluorescence (TADF) at room ...
Bart W.L. van den Bersselaar   +8 more
wiley   +1 more source

Spectra and Charge Transport of Polar Molecular Photoactive Layers Used for Solar Cells

open access: yesJournal of Chemistry, 2015
The ground state structures, HOMO and LUMO energy levels, band gaps ΔH-L, ionization potentials (IP), and electron affinities (EA) of three types of copolymer P1 and its derivatives P2, P3, and PBDT-BTA were investigated by using density functional ...
Yuanzuo Li   +3 more
doaj   +1 more source

The Comparison of Primary, Secondary and Tertiary Amine Ligands on Palladium (II) Complex Ion on Thermo-Physical, Chemical Reactivity, and Biological Properties: A DFT Study

open access: yesCumhuriyet Science Journal, 2019
The Palladium is consideredas the catalyst for coupling reaction and useful metal in industry. Thethermo-physical, chemical reactivity and biological interaction are consideredthe most expected parameters for use in any area of the chemical industry ...
Md. Nuruzzaman Sarker   +3 more
doaj   +1 more source

RETRACTED: Exploration of semi-carbazone derivatives as promising agents against cholera: Insights from spectroscopic analysis, reactivity studies (ELF, HOMO-LUMO, NBO), solvation effects, and molecular docking investigations

open access: gold, 2023
Aniekan E. Owen   +11 more
openalex   +1 more source

Estudio computacional conformacional, espectroscópico, ONL, HOMO–LUMO y reactividad de 1,3,5-trifenilpirazol

open access: yesRevista ION, 2018
Los parámetros estructurales de 1,3,5-trifenilpirazol se determinaron con DFT/cam-B3LYP con el conjunto de bases 6-311++G(d,p). Los resultados de la estructura molecular optimizada se presentan y comparan con los datos disponibles de rayos X de la molécula o moléculas muy similares. Se proporciona un análisis completo de los espectros observados de las
Blanco-Acuña, Edgard Fabián   +4 more
openaire   +3 more sources

Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals

open access: yesAdvanced Functional Materials, EarlyView.
Complex excitonic landscapes in acene–perfluoroacene cocrystals are unveiled by polarization‐resolved optical spectroscopy and many‐body theory. This systematic study of a prototypical model system for weakly interacting donor–acceptor compounds challenges common views of charge‐transfer excitons, providing a refined conceptual framework for ...
Sebastian Anhäuser   +6 more
wiley   +1 more source

Fabrication of Pyridinic Nitrogen‐Functionalized Carbon Cloth for High‐Performance Iron‐Chromium Flow Batteries

open access: yesAdvanced Functional Materials, EarlyView.
The carbon cloth electrode with targeted pyridinic nitrogen doping, achieved via urea pyrolysis, effectively modulates the adsorption of Cr(II) species and enhances electron transfer, leading to significantly improved kinetics of the Cr(II)/Cr(III) reaction. The material demonstrates a high discharge capacity of 689.3 mAh and an energy efficiency of 72.
Jinfeng Yi   +9 more
wiley   +1 more source

Trifluoromethoxylated Electron Acceptor Enabling Ternary Organic Solar Cells with over 20% Power Conversion Efficiency

open access: yesAdvanced Functional Materials, EarlyView.
ABSTRACT In this work, we introduce a trifluoromethoxy (OCF3) group as a pseudo‐halogen terminal group design for non‐fullerene acceptors, which combines strong inductive electron‐withdrawing ability with moderate resonance donation. The as‐synthesized BTP‐OCF3, when benchmarked against its methoxy analogue BTP‐OCH3, demonstrates narrowed bandgap ...
Chunliang Li   +16 more
wiley   +1 more source

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