Results 171 to 180 of about 664,776 (274)

Organic Electrolyte Composed of Strongly and Weakly Coordinating Molecules for Sodium‐Ion Battery. A Molecular Dynamics Simulation Study

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Molecular dynamics simulations reveal that the addition of weakly coordinating solvents disrupts stable Na+ solvation with various coordinating configurations, accelerating solvents exchange and promoting Na+ migration. The optimized electrolyte achieves the highest ionic conductivity as well as the fractional ionic conductivity of Na+ of 3.68 ± 0.36 ...
Hongjin Li   +6 more
wiley   +1 more source

Enhanced Photocatalytic Reduction of CO2 to Complete CO Mediated by Donor–Acceptor Covalent Organic Frameworks

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A donor–acceptor (D–A) engineering strategy is applied to construct β‐ketoenamine‐linked COFs for CO2 photoreduction in pure water without sacrificial agents or photosensitizers. The designed TP‐TAPB COF, featuring the strongest D–A interaction, achieves a complete CO production rate of 464.6 μmol g−1. Strengthened intramolecular D–A interactions favor
Yi Li   +5 more
wiley   +1 more source

Targeting PTPN22 at Nonorthosteric Binding SitesA Fragment Approach. [PDF]

open access: yesACS Omega
Di Lello P   +18 more
europepmc   +1 more source

High‐Adhesion Quadruple Hydrogen‐Bonded Ionogels: A Dual‐Function Platform for Gesture Recognition and Real‐Time NH3 Detection in Multiscenario

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Quadruple hydrogen‐bonded high‐adhesion ionogels for gesture recognition and real‐time NH3 sensing. Ionogels have garnered significant attention in flexible sensing due to their outstanding mechanical properties, conductivity, and stability. However, establishing a robust and stable adhesive interface with various substrates remains a significant ...
Haohao Lin   +7 more
wiley   +1 more source

A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules. [PDF]

open access: yesJ Chem Theory Comput
Adams C   +6 more
europepmc   +1 more source

Tuning Solvation Structures with KPF6 Additives for More Stable Lithium Metal Battery Cycling

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Introducing an optimal 0.1 m KPF6 additive into the conventional 1 m LiPF6‐EC/DEC electrolyte promoted small aggregate formation, enhanced Li+ transport, and facilitated a uniform SEI, thereby significantly improving the cycling stability of Li‖LiFePO4 cells. Uncontrolled dendrite growth and low Coulombic efficiency remain major challenges limiting the
Houhou Huang   +6 more
wiley   +1 more source

Bottlenecks‐Breaking in Zinc‐Iodine Batteries Toward Practical Implementation: A Review and Perspective

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Aqueous zinc–iodine batteries (Zn–I2Bs) offer promise for grid storage due to safety and cost advantages yet face critical bottlenecks: severe self‐discharge (polyiodide shuttling and HER), limited energy density, sluggish kinetics, and zinc anode instability.
Jia‐Lin Yang   +3 more
wiley   +1 more source

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