Results 191 to 200 of about 38,544 (310)

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +1 more source

Phase‐Resolved Dual Control of Phenol Photodissociation at the Air–Water Interface From Structure‐Resolved Statistics

open access: yesAdvanced Science, EarlyView.
Faster phenol photolysis at the air–water interface arises from two cooperative factors: a more favorable initial microenvironment for solvent‐side electron stabilization, which lowers CI access, and a more labile hydrogen‐bond network, which more readily reorganizes to stabilize the dark‐state intermediate.
Qiang Yin   +8 more
wiley   +1 more source

Orbital and Electrical Dual Function of Polymer Intercalant for Promoting NH4+ Storage in Vanadium Oxide Anode

open access: yesAdvanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
The impact of polyaniline insertion on the atomic orbitals and electronic structure of vanadium oxide anode is systematically investigated for the first time. The electrode exhibits an outstanding capacity and unprecedent long‐term cycling life, owing to the electron transition to the V 3dxy state and the enhanced diffusion kinetics.
Yue Zhang   +6 more
wiley   +1 more source

Rare‐Earth Yttrium Doping Advances High‐Performance AgSbTe2 Thermoelectrics

open access: yesAdvanced Energy Materials, EarlyView.
Y‐doped AgSbTe2 achieves band and microstructure co‐optimization, with coherent Y‐Ag2Te interfaces enhancing phonon scattering and reducing lattice thermal conductivity to 0.26 W m−1 K−1. Combined with valence‐band broadening and increased carrier concentration, this yields ZT ≈ 2 at 623 K, average ZT = 1.5, and 7.3 % conversion efficiency of a single ...
Lan Li   +11 more
wiley   +1 more source

Synergistic Bi–Te Antisite Defects and Crystalline‐Amorphous Hybrid Structure Enable Record‐High Thermoelectric Performance in Flexible Bi2Te2.7Se0.3 Films

open access: yesAdvanced Energy Materials, EarlyView.
Flexible n‐type Bi2Te3 thin films require improved room‐temperature figure of merit (ZT) and mechanical stability. We show that synergistic Bi–Te antisite tuning and crystalline–amorphous hybridization optimizes carrier concentration, mobility, and phonon scattering.
Bo‐Cheng Wang   +8 more
wiley   +1 more source

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