Results 91 to 100 of about 53,220 (229)
Advanced 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
Spectra and Charge Transport of Polar Molecular Photoactive Layers Used for Solar Cells
Journal 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
Cumhuriyet 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
GW approximation with self-screening correction
, 2011 The \emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error as evident in
A. L. Fetter +7 more
core +1 more source
Thermally Activated Delayed Fluorescence in Phase‐Separated Nanostructures
Advanced 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
Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals
Advanced 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
Electronic properties of linear carbon chains: resolving the controversy
, 2014 Literature values for the energy gap of long one-dimensional carbon chains vary from as little as 0.2 eV to more than 4 eV. To resolve this discrepancy, we use the GW many-body approach to calculate the band gap $E_g$ of an infinite carbon chain. We also
Amaal Al-Backri +3 more
core +1 more source
Advanced 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
Many-body theory of electronic transport in single-molecule heterojunctions
, 2008 A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing.
C. A. Stafford +6 more
core +1 more source
Advanced 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