Results 111 to 120 of about 7,655,786 (300)
Advanced Functional Materials, EarlyView.We demonstrate that halide composition determines phase morphology, governing distinct operating mechanisms in mixed halide perovskites. Phase segregating 75% Br compositions enhance solar cell performance, whereas intrinsically phase‐separated 95% Br compositions provide stable light emitting diodes.
Tal Binyamin +6 more
wiley +1 more source
High‐Efficiency Quantum Defect Generation in Carbon Nanotubes via Oxygen‐Free Photochemistry
Advanced Functional Materials, EarlyView.We show that oxygen plays an important role in quantum defect formation in carbon nanotubes and identify reaction conditions to create a range of different quantum defects for photonics and biosensing. ABSTRACT Single‐walled carbon nanotubes (SWCNTs) offer potential for a wide range of applications from optoelectronic devices to biomedical diagnostics.
Christina Derichsweiler +6 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A graphene‐supported 2D metal–organic network stabilizes highly reactive Fe(I)‐N4 single sites through Co‐induced charge redistribution. Combined experiments and theory reveal Fe(I) formation, oxygen‐driven oxidation, and O2 activation mechanisms, offering a strategy to access low‐valent iron centers relevant to catalytic and biological processes ...
Alessandro Namar +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Solvent‐composition‐controlled film formation enables high‐performance (efficiency = 18.66%) and air‐stable terpene‐processed organic solar cells. An optimized eucalyptol/tetralin ratio of 50:50 (v/v) balances molecular solvation and aggregation kinetics, producing favorable nanoscale phase separation and vertical composition gradients.
Hyerin Jeon +4 more
wiley +1 more source
Natural Product Communications, 2012 The physical properties and molecular structure of five natural indole alkaloids (IAs) and their interaction with protein targets have been studied, experimentally and theoretically.
Bojidarka Ivanova, Michael Spiteller
doaj +1 more source
, 2018 Electronic absorption spectra in 140–450 nm were investigated by attenuated total reflectance spectroscopy and quantum chemical calculations.
Aki Suyama +3 more
core +1 more source
Advanced Functional Materials, EarlyView.Unlocking thermomagnetic low‐grade waste heat recovery. This perspective provides a comprehensive roadmap for the development of thermomagnetic materials and systems. By addressing key engineering challenges across multiple scales, it bridges the gap between micro‐power IoT devices and large‐scale industrial applications. ABSTRACT Nearly half of global
A. Waske +13 more
wiley +1 more source
Protein-ligand binding affinities from large-scale quantum mechanical simulations
, 2012 The accurate prediction of protein-drug binding affinities is a major aim of computational drug optimisation and development. A quantitative measure of binding affinity is provided by the free energy of binding, and such calculations typically require ...
Fox, Stephen J.
core +1 more source
Quantum-chemical calculations of the reaction of ethylene oxide with water
, 2023 Svrha ovog rada je primijeniti kvantnokemijske izračune međudjelovanja molekula etilen – oksida i vode. U prvom dijelu rada prikazana su svojstva etilen – oksida i vode, kao i teorije poput Hartree – Fock i teorije funkcionala gustoće (DFT) koje ujedno ...
Orešković, Anđela
core
Advanced Functional Materials, EarlyView.Solution‐based ligand‐assisted epitaxial growth (LAEG) yields high‐quality CsPbBr3 microcrystals on different substrates with superior morphology, passivated surfaces, and high photoluminescence quantum yield. These robust micro‐resonators achieve record‐low room‐temperature lasing thresholds of 7.2 kW·cm−2 and maintain operational stability up to 90 ...
Shuyu Zhou +19 more
wiley +1 more source