Results 121 to 130 of about 45,622 (323)
ENERGY &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
Tuning Solvation Structures with KPF6 Additives for More Stable Lithium Metal Battery Cycling
ENERGY &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
Further investigations on the relationship between the OPLS preprocessing and the NAS
, 2020 Jean‐Claude Boulet, Robert Sabatier
openalex +2 more sources
Environmental Toxicology and Chemistry, EarlyView.Abstract There is increasing concern regarding pollutants disrupting the vertebrate thyroid hormone (TH) system, which is crucial for development. Thus, identification of TH system–disrupting chemicals (THSDCs) is an important requirement in the Organisation for Economic Co‐operation and Development (OECD) testing framework.
Lisa Gölz +9 more
wiley +1 more source
Journal of the Brazilian Chemical Society, 2002 Monte Carlo simulations were carried out for concentrated aqueous urea solutions at 4, 5, 6, 7 and 8 mol L-1 in the NpT ensemble at 298 K and 1 atm. The potential energy surfaces were represented by the sum of Coulomb and Lennard-Jones potentials in ...
Bertran Celso A. +2 more
doaj
Food Frontiers, EarlyView.This study systematically investigated 52 Fu brick tea (FBT) samples collected from seven representative regions in China. High‐through put sequencing revealed that Aspergillus, Wallemia, and Candida were the predominant fungal genera across the samples.
Lisha Ran +9 more
wiley +1 more source