Results 181 to 190 of about 166,490 (310)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

Metalens Based on Surface Relief Grating Type Photonic Crystal

open access: yesProceedings of the International Display Workshops
Chuan-Yu Chang   +3 more
openaire   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

open access: yesAdvanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai   +6 more
wiley   +1 more source

Shape‐Controlled Guanine Self‐Assemblies for Stable and Fast‐Ion Solid–Electrolyte Interphases in Sustainable Li Metal Batteries

open access: yesAdvanced Functional Materials, EarlyView.
The shape of guanine self‐assemblies is tuned by introducing alkyl (G8), fluoroalkyl (G8f), and oligoether (G8g) side chains into the G moiety. The scanning tunneling microscopy results and calculations show that the presence and type of the side chain strongly affect the G self‐assembly network.
So‐Huei Kang   +9 more
wiley   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

open access: yesAdvanced 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

Constructing Ionic Fast Diffusion Channels on LiNi0.5Mn1.5O4 for Lithium‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
A dual‐modification strategy is developed for LNMO cathode, where bulk Ti doping stabilizes the oxygen framework and simultaneously drives the in situ formation of LaTi2O6 nano‐islands as ion diffusion channels on (111) surfaces, enabling high‐rate capacity (∼100 mAh g−1 at 30 C) and excellent cycling retention (87.8% after 1000 cycles).
Xinyi Zhang   +10 more
wiley   +1 more source

Home - About - Disclaimer - Privacy