Advanced Functional Materials, EarlyView.A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon +11 more
wiley +1 more source
Identification of bioactive phytoconstituents as promising ABL2 inhibitors using virtual screening and molecular dynamics simulation. [PDF]
Sci RepElayyan AEM +4 more
europepmc +1 more source
Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries
Advanced Functional Materials, EarlyView.Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu +4 more
wiley +1 more source
Investigating the mechanistic link between pesticide DDT and breast cancer through network toxicology, molecular docking, and molecular dynamics simulation. [PDF]
Sci RepTang Y, Huang J, Yang F, Li K, Yang X.
europepmc +1 more source
Advanced Functional Materials, EarlyView.A swelling‐programmed micropatterned hydrogel guides adherent cells through a controlled transition from cell–matrix anchoring to cadherin‐mediated cell–cell compaction, enabling rapid assembly of high‐viability spheroids with defined size and morphology.
Han Gyeol Nam +8 more
wiley +1 more source
Creep Behavior and Its Influencing Factors in High-Entropy Superalloys: A Molecular Dynamics Simulation Study. [PDF]
Materials (Basel)Han K +6 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Butterfly wing scales are intricate cuticular functional nanosctructures. This perspective suggests that spatially varying material properties, cytoskeletal constraints, and growth‐driven mechanical instabilities shape the resulting nanoscale architectures created from single cells.
Anupama Prakash +10 more
wiley +1 more source
Effect of Fe/Ni Microalloying on Interface Regulation of SiC/Al Composites: Molecular Dynamics Simulation and Experiments. [PDF]
Materials (Basel)Song T +5 more
europepmc +1 more source
Robust Polymer Hydrogels Improve Electric‐Fish‐Inspired Batteries
Advanced Functional Materials, EarlyView.ABSTRACT Electric‐fish‐inspired hydrogel batteries based on ion‐concentration gradients offer an attractive route to soft power sources; however, the poor mechanical properties of existing hydrogels limit device assembly and performance. Here, we report poly(ethylene glycol) methyl ether acrylate hydrogels that enable ion‐gradient batteries composed of
Nick Zahnd +5 more
wiley +1 more source
Comparing cryo-EM methods and molecular dynamics simulation to investigate heterogeneity in ligand-bound TRPV1. [PDF]
Nat CommunAstore MA +4 more
europepmc +1 more source