Results 131 to 140 of about 14,265 (262)

Tracking Dynamic Sulfur Electrochemistry by Operando Techniques in Alkali Metal‐Sulfur Batteries

open access: yesAdvanced Energy Materials, EarlyView.
Dynamic sulfur electrochemistry in alkali metal‐sulfur batteries is tracked through operando spectroscopy, scattering, imaging, and modelling. This Review connects sulfur reaction pathways, polysulfide transport, electrolyte/interphase evolution, anode chemistry, and quantitative mechanistic analysis across Li‐S, Na‐S, and K‐S batteries, providing ...
Fangli Zhang   +3 more
wiley   +1 more source

<i>mcstas_gisans</i>: combining ray tracing with the distorted-wave Born approximation using <i>McStas</i> and <i>BornAgain</i> for virtual GISANS experiments. [PDF]

open access: yesJ Appl Crystallogr
Klausz M   +8 more
europepmc   +1 more source

A Large Scale Multi‐Modal Workflow for Battery Characterization: From Concept to Implementation

open access: yesAdvanced Energy Materials, EarlyView.
Isolated characterization techniques produce independent datasets and single‐property insights. However, progressively more holistic interpretations of battery‐material behavior is needed in the future. Here we demonstrate a coordinated multimodal workflow enabling the correlation of heterogeneous datasets and the construction of multidimensional ...
François Cadiou   +34 more
wiley   +1 more source

Atomic‐Scale Tracing of Lithium Trapped in Copper Current Collectors

open access: yesAdvanced Energy Materials, EarlyView.
Does lithium diffuse into the copper current collector during cycling in lithium‐metal batteries? This study unveils, at the atomic scale, that lithium is trapped at grain boundaries and junctions, already after only one plating/stripping cycle. After three and more cycles, the copper foil surface becomes nanocrystalline and oxidized.
Tong Li   +9 more
wiley   +1 more source

Multiscale Design of Anion Exchange Membrane‐Based Seawater Electrolysis for Sustainable Hydrogen Production

open access: yesAdvanced Energy Materials, EarlyView.
Direct seawater electrolysis using anion exchange membranes is emerging as a promising route for sustainable hydrogen production. This review summarizes multiscale design strategies from seawater chemistry and OER–ClER selectivity to catalysts, membranes, MEAs, cells, stacks, and system integration, providing a roadmap toward selective, durable, and ...
Chiho Kim   +7 more
wiley   +1 more source

Chelation Drives Surface Substitution in Hybrid‐MXenes

open access: yesAngewandte Chemie, EarlyView.
We demonstrate ethylenediamine‐derived bidentate binding on Ti3C2 by controlled deprotonation of ─NH2 groups during reaction with Ti3C2Br2. XRD, XPS, ssNMR, STEM, DFT, and INS confirm the bidentate coordination and the superior stability of chelating modes, while AIMD reveals proton transfer and new surface imine–Ti bonding mode.
Vikash Khokhar   +13 more
wiley   +2 more sources

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

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