Results 101 to 110 of about 2,800 (217)

Advances in Computational and Experimental Approaches to Chemical Short‐Range Order Formation in Multi‐Principal Element Alloys

open access: yesAdvanced Science, EarlyView.
Chemical short‐range order (CSRO) plays a central role in governing the behavior of multi‐principal element alloys. This perspective critically assesses computational and experimental approaches for quantifying, characterizing, and validating CSRO, emphasizing modeling–experiment cross‐validation pathways that enable more reliable interpretation of ...
Mohsen Asle Zaeem, Peter K. Liaw
wiley   +1 more source

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

open access: yesAdvanced Science, EarlyView.
StructPot‐CLR establishes a cross‐modal contrastive learning framework that aligns the crystal structures of 2D materials with plane‐averaged electrostatic potential landscapes for physically informed work‐function prediction. The model achieves an MAE of 0.265 eV and an R2 of 0.902 on the held‐out test set while accurately preserving key morphological
Haoyu Wan, Yue Wu, Tianhao Su, Deng Pan
wiley   +1 more source

Thermodynamics and Kinetics in Host Design for Dendrite‐Free Zinc Metal Anodes

open access: yesAdvanced Science, EarlyView.
This review comprehensively summarizes recent advances in host design strategies for high‐performance zinc metal anodes, and deeply elucidates their thermodynamic and kinetic design principles from the perspective of surface modification, interface engineering, and spatial confinement.
Peng Xiao Sun   +9 more
wiley   +1 more source

Improved Direct Ink Writing of Liquid Metal Foams via Liquid Additives

open access: yesAdvanced Electronic Materials, EarlyView.
The ability to pattern liquid metal is useful for making soft electrical and thermal devices. Dispensing liquid metal from a nozzle naturally results in the formation of spheroidal droplets, making direct‐write printing challenging. Liquid metal foams containing pockets of air can extrude as filaments, albeit inconsistently.
Febby Krisnadi   +3 more
wiley   +1 more source

Robustness of Half‐Metallicity and Spin‐Dependent Transport in Defective Co2HfSn and Co2ZrSn Heusler Alloys

open access: yesAdvanced Electronic Materials, EarlyView.
Point defects strongly influence the spin‐dependent electronic and transport properties of Co2HfSn and Co2ZrSn Heusler alloys. First‐principles calculations reveal that Co vacancies preserve half‐metallicity, while anti‐site and swap defects introduce minority‐spin states that reduce spin selectivity.
Alessandro Difalco   +5 more
wiley   +1 more source

Integrating Automated Electrochemistry and High‐Throughput Characterization with Machine Learning to Explore Si─Ge─Sn Thin‐Film Lithium Battery Anodes

open access: yesAdvanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
A closed‐loop, data‐driven approach facilitates the exploration of high‐performance Si─Ge─Sn alloys as promising fast‐charging battery anodes. Autonomous electrochemical experimentation using a scanning droplet cell is combined with real‐time optimization to efficiently navigate composition space.
Alexey Sanin   +7 more
wiley   +1 more source

Hole‐Activated Lattice Oxygen Enables Pt‐Free Propane Dehydrogenation by Eliminating the Hydrogen Recombination Bottleneck

open access: yesAngewandte Chemie, EarlyView.
Trace Mg doping into gallia–alumina generates hole‐type oxygen species that accelerate hydrogen recombination, eliminating the need for Pt promotion. The fully oxide‐based catalyst resists sintering under repeated regeneration, outperforming benchmark PtSn and CrOx catalysts with exceptional stability over 30 dehydrogenation–regeneration cycles ...
DongHwan Oh   +8 more
wiley   +2 more sources

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

open access: yesAdvanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu   +5 more
wiley   +1 more source

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