Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Rethinking Model Transferability: Validity Domains as a New Approach to Delineate the Limits of Bloom Date Projections. [PDF]
Bauer JN +4 more
europepmc +1 more source
Switchable Supramolecular Adhesive by Tuning Interfacial Bonding and Modulus
The supramolecular adhesive (HyDiP) shows reversible adhesion and recyclability. In the dehydrated state, it is dense, stiff (E ≈445 MPa), transparent, and provides strong bonding with adhesion strengths up to 4.65 MPa. In the hydrated state, it becomes porous, soft (E ≈0.11 MPa), and detaches easily, enabling sustainable high‐strength applications ...
Rumin Fu +10 more
wiley +1 more source
A systematic evaluation of uncertainty quantification techniques in deep learning: a case study in photoplethysmography signal analysis. [PDF]
Bench C +9 more
europepmc +1 more source
Calibration Model for Apnea-Hypopnea Indices: Impact of Alternative Criteria for Hypopneas. [PDF]
Ho V +4 more
europepmc +1 more source
Encoding Magnetic Anisotropies in Digital Light Processing 3D Printing
A hybrid magnetic device—combining a coaxial coil within a nested Halbach array—is presented, integrated into a DLP 3D printer to enable spatially resolved magnetic field control. This system enables complex, multimodal responses by programming liquid crystal elastomer resins for magnetic and thermal actuation, and by inducing electrically conductive ...
Eléonore Aïdonidis +11 more
wiley +1 more source
Ag+‐mediated hydrothermal crystal engineering promotes preferential [hk1]‐oriented growth of Sb2Se3 via an ultrathin MoOx interlayer, improving crystallinity and suppressing non‐radiative recombination. The optimized Ag+ treatment photocathode delivers 24.7 mA cm−2 at 0 VRHE and improved stability, revealing an ion‐modulated route to high‐performance ...
Ziying Zhang +10 more
wiley +1 more source
Infrared Nanocrystals for Space Application: Hardness to Irradiations
This article investigates infrared HgTe nanocrystals under X‐ray and ion irradiation, revealing remarkable radiation hardness. It uncovers distinct degradation mechanisms and shows that the nanomaterial outperforms integrated electronics. The results position colloidal nanocrystals as promising candidates for resilient space and harsh‐environment ...
Alexandre Neyret +22 more
wiley +1 more source
Letter to the editor regarding "Development of a machine learning-based predictive model for long-term adverse outcomes in neonatal bacterial meningitis". [PDF]
de Melo D'Elia RG +1 more
europepmc +1 more source
Surface Diffusion in SnTe‐PbTe Monolayer Lateral Heterostructures
The lateral heterostructures between 2D materials often suffer from the interdiffusion at the interfaces. Here, a surface diffusion mechanism is found to be dominating at the interfaces between semiconducting SnTe and PbTe monolayers. Atomically sharp interfaces can be achieved by suppressing this diffusion process. ABSTRACT The construction of complex
Jing‐Rong Ji +9 more
wiley +1 more source

