Advanced Functional Materials, EarlyView.A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan +4 more
wiley +1 more source
Active Learning‐Accelerated Discovery of Fibrous Hydrogels with Tissue‐Mimetic Viscoelasticity
Advanced Functional Materials, EarlyView.Active learning accelerates the design of fibrous hydrogels that mimic the viscoelasticity of native tissues. By integrating multi‐objective optimization and closed‐loop experimentation, this approach efficiently identifies optimal formulations from thousands of possibilities and decouples elasticity and viscosity. The resulting hydrogels offer tunable
Zhengkun Chen +11 more
wiley +1 more source
Coordination Versatility of Thiazolidinone-Based Ligands toward Ag <b><sup>+</sup></b> : Structural and Photophysical Insights. [PDF]
ACS OmegaCorredoira-Vázquez J +4 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Controlling the exposed crystal facet of shape‐controlled Au‐Pd core‐shell catalysts though colloidal synthesis enhances their catalytic performance in the industrially relevant selective hydrogenation of butadiene. ABSTRACT Selective hydrogenation of butadiene is a critical step in purification of alkene feedstocks for polymer production and is ...
Marta Perxés Perich +3 more
wiley +1 more source
Electronic Descriptors Governing Binding Energies of Bidentate Aromatic Ligands with Metal Cations: Insights from DFT and Statistical Analysis. [PDF]
J Phys Chem AZhang D +3 more
europepmc +1 more source
Exploring Pb‐Chelation Chemistry in the Crystallization Dynamics of Halide Perovskites
Advanced Functional Materials, EarlyView.A mechanism of how Pb‐chelation chemistry governs coordination geometry and initial nucleation behavior at the precursor level of halide perovskite, by regulating the deprotonation state of a chelating additive, is elucidated. This allows for innovative reaction‐system design principles that promote coherent growth while suppressing defect formation in
Byeong Jun Kim +13 more
wiley +1 more source
Targeting of Leishmania proteins by β-Lapachone derivatives reveals a promising multitarget candidate. [PDF]
Arch MicrobiolMariano-Fernandes L +4 more
europepmc +1 more source
Exciton Binding Energy of Phosphorescent Emitter Molecules in Organic Light‐Emitting Diodes
Advanced Functional Materials, EarlyView.Energy level alignment is key to efficient OLED design, yet determining LUMO energies remains challenging. A methodology based on field‐induced dissociation and kinetic Monte Carlo simulations is presented to extract LUMO energies of iridium‐based phosphorescent emitters from their exciton binding energy.
Hiroki Tomita +6 more
wiley +1 more source
SAFR: Enabling Fragment-Based Drug Discovery with a Synthetic Binding Pose Data Set. [PDF]
J Chem Inf ModelCabot-March J, Jalencas X, Mestres J.
europepmc +1 more source
Advanced Functional Materials, EarlyView.A quantum dot–tellurium thin‐film photodetector autonomously discriminates visible and infrared wavelengths through polarity‐reversible photoresponses. Engineered carrier separation and gain modulation enable filter‐free multispectral sensing within a single‐device architecture.
Yong Min Lee +7 more
wiley +1 more source