Results 131 to 140 of about 7,293 (261)

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

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

Tuning the Selectivity of Methanol Decomposition to Syngas Exploiting the Surface Stability of Ni<sub>3</sub>Sn<sub>2</sub> Intermetallic Compounds. [PDF]

open access: yesACS Appl Energy Mater
Mauri S   +11 more
europepmc   +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

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