Results 111 to 120 of about 21,513 (291)
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
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Deep Underground Science and Engineering, EarlyView.A scientometric analysis of 2449 journal articles and a comprehensive review of 336 papers were conducted, discussing and identifying challenges and research gaps in rockburst prediction and prevention and proposing an ontology‐based framework for better decision‐making in underground excavations. Abstract With underground engineering projects becoming
Hongchuan Yan +6 more
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Defining Key Semantics for the RDF Datasets: Experiments and Evaluations
, 2014 Manuel Atencia +8 more
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Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries
EcoEnergy, EarlyView.Multiscale analyses are adopted to demystify the interaction and regularize the mechanism of ligand regulation for solvation by the methods of quantum chemistry, molecular dynamics, and wavefunction analyses. ABSTRACT Transition‐metal‐based aqueous batteries, particularly iron and zinc‐based systems, have emerged as promising candidates for energy ...
Yuxi Song +7 more
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No Size Fits All – Running the Star Schema Benchmark with SPARQL and RDF Aggregate Views [PDF]
, 2013 Benedikt Kämpgen, Andreas Harth
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EcoEnergy, EarlyView.A geochemistry‐guided, acid‐free recycling paradigm for spent LFP batteries. ABSTRACT The rapid expansion of lithium iron phosphate (LFP) batteries presents a critical challenge for sustainable end‐of‐life management, where conventional recycling methods heavily depend on intensive acid/oxidant use and overlook persistent phosphorus pollution.
Guangli Liu +7 more
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ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.In this work, the electrochemical compatibility of a broad range of solid polymer electrolytes with two Ni‐rich nickel–manganese–cobalt cathodes (NMC622, NMC811) is investigated through a hybrid computational and experimental approach. The relative reactivity of NMC811 to NMC622 is demonstrated, as well as the role of Li cations in the electrolyte ...
Alexandre Roelens +9 more
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A Review of SHACL: From Data Validation to Schema Reasoning for RDF Graphs [PDF]
, 2021 Paolo Pareti, George Konstantinidis
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ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.Lithium‐ion battery anodes that maintain good performance and excellent stability under high temperature conditions. Silicon oxide (SiO) has great potential as a high‐capacity anode for lithium‐ion batteries, but its practical use is limited by excessive volume expansion (>200%) and rapid capacity fade, especially at high temperatures.
Keren Shi +9 more
wiley +1 more source