Results 201 to 210 of about 140,931 (302)

Dual Band Optimization and Defect Engineering Enable Ultrahigh Thermoelectric Performance in Filled Skutterudites

open access: yesAdvanced Energy Materials, EarlyView.
A synergistic dual‐modulation strategy is employed in Yb‐filled skutterudites through concurrent indium filling and tellurium doping to optimize electronic band structure and phonon scattering. Cooperative band convergence and nanoprecipitate‐induced lattice distortions yield a high zT of 1.72 and enable an ultra‐efficient thermoelectric device with 8 ...
Xuri Rao   +10 more
wiley   +1 more source

Stabilizing Magnesium Anodes in Rechargeable Magnesium Batteries via Fluorinated Cyclic Ether Electrolyte Additive

open access: yesAdvanced Energy Materials, EarlyView.
A fluorinated cyclic ether, FDOL, is shown to stabilize Mg metal anodes by tuning Mg2+ solvation of the G2 electrolyte. The G2‐FDOL electrolyte suppresses passivation and thick, diffusion‐blocking Mg deposits, enabling more uniform Mg plating/stripping and sustained interfacial reactions.
Hafiz Ahmad Ishfaq   +9 more
wiley   +1 more source

MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations. [PDF]

open access: yesJ Chem Inf Model
Shivakumar S   +8 more
europepmc   +1 more source

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization. [PDF]

open access: yesJ Chem Inf Model
Blanco-Gonzalez A   +10 more
europepmc   +1 more source

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