Results 211 to 220 of about 191,242 (302)

Halide‐Dependent Photoluminescence and Heavy‐Atom Effects in Low‐Melting Organic–Inorganic Manganese Halides

open access: yesAdvanced Functional Materials, EarlyView.
Two pyridinium‐based ionic liquid templated hybrid manganese halides, (C4Py)2[MnCl4] and (C4Py)2[MnBr4], display similar bulk structures but show significantly different photoluminescence behaviors due to the bromine heavy‐atom effect. Their stable local Mn environments remain intact even in the molten state, allowing applications such as luminescence ...
Biswajit Bhattacharyya   +22 more
wiley   +1 more source

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

Enhanced Li‐Ion Battery Performance with Hybrid MXene/GnR Electrodes: Heterojunctions and Engineered Architectures Supported by DFT Mechanistic Studies for Improved Rate Performance, Stability & Capacity

open access: yesAdvanced Functional Materials, EarlyView.
Lithium‐ion batteries (LIBs) remain central to energy storage but suffer from slow ion transport and degradation. Here, we present a binder‐free Ti3C2Tx MXene/GnR hybrid electrode with a porous 3D architecture formed via freeze casting. The structure enhances conductivity, ion transport, and stability, delivering 401 mAh/g, ∼97% efficiency, and 92 ...
Sara Mohseni Taromsari   +10 more
wiley   +1 more source

Speckle‐Engineered Upconversion Amplification in Nanoemulsion‐Templated Hydrogel Microdomes

open access: yesAdvanced Functional Materials, EarlyView.
Nanoemulsion‐confined PEGDA microdomes generate speckle‐like excitation fields that strongly amplify upconversion luminescence upon dehydration, enabling filter‐free visible readout with reversible on–off switching. DMD‐based lithography yields scalable, shape‐programmable arrays for moisture‐responsive displays and optical encryption.
Chaeyeong Ryu   +13 more
wiley   +1 more source

Emergence of Rechargeable Aqueous Manganese Batteries. [PDF]

open access: yesNanomicro Lett
Xu Z   +9 more
europepmc   +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

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