Advanced Functional Materials, EarlyView.Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska +5 more
wiley +1 more source
High Performance Durable Vanadium Dioxide Spectral Selective Modulation Smart Windows
Advanced Functional Materials, EarlyView.Crystallinity‐enhanced VO2 nanoparticles with a self‐limited amorphous oxidation shell achieve an order of magnitude durability improvement and high spectral selective modulation performance (luminous transmittance of 28.5%, solar modulation of 10.5%, and mid‐infrared emissivity modulation of 0.5) for smart windows.
Bin Li +7 more
wiley +1 more source
Stochastically Generated Digital Twins of 3D Solid‐State Electrolyte Architecture
Advanced Functional Materials, EarlyView.A stochastic model and validation suite were developed to produce the highest fidelity computer‐generated (Digital Twin) microstructures of random porous tape‐cast solid‐state battery architectures across µm to mm feature sizes from FIB‐SEM to X‐Ray µCT, respectively.
Jonathan O'Neill +9 more
wiley +1 more source
Development and experimental validation of 3D QSAR models for the screening of thyroid peroxidase inhibitors using integrated methods of computational chemistry. [PDF]
HeliyonRudresh BB +6 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Electroforming‐free TiN/SiOx/Cu/SiOx/TiN memristive devices exploit pancake‐like Cu nanoparticles embedded in a SiOx double layer to create a heterogeneous Schottky‐barrier landscape. Under bias, oxygen‐vacancy redistribution progressively lowers local barriers and recruits initially inactive Cu‐PC pathways into a parallel conduction ensemble, enabling
Rouven Lamprecht +10 more
wiley +1 more source
Interface Engineering via Sb2Te3 Deposition Enables High‐Performance SWCNT Film Thermoelectrics
Advanced Functional Materials, EarlyView.SWCNTs are promising for flexible thermoelectrics but suffer from low performance. Here, cold‐pressed SWCNT films combined with deposited Sb2Te3 form engineered interfaces that enhance charge transport and energy filtering. The composite achieves a high power factor (25.82 µW cm−1 K−2) and delivers a power density of 3 mW cm−2 at ΔT = 40 K, with ...
Yuan‐Meng Liu +11 more
wiley +1 more source
Advanced Functional Materials, EarlyView.The intrinsic distortion‐rich lattice of HEPBA with GQD‐enabled microstrain engineering establishes a mechanistic route toward high‐performance alkaline hydrogen evolution reaction. HEPBA inherently feature heterogeneous local coordination environments arising from multimetal incorporation, while properly introducing GQD during coprecipitation ...
Mia Rinawati +10 more
wiley +1 more source
Retracted: Two Myricetin-Derived Flavonols from Morella rubra Leaves as Potent α-Glucosidase Inhibitors and Structure-Activity Relationship Study by Computational Chemistry. [PDF]
Oxid Med Cell LongevLongevity OMAC.
europepmc +1 more source
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. [PDF]
RSC Med ChemHazemann J +6 more
europepmc +1 more source