Results 161 to 170 of about 177,692 (306)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

Zwitterionic Self‐Assembled Monolayer for Simultaneous Noise Suppression and Hole Extraction in High‐Performance Near‐Infrared Organic Photodetectors

open access: yesAdvanced Functional Materials, EarlyView.
This study presents a new hole transporting material (HTM) mechanism for self‐assembled monolayers in near‐infrared organic photodetectors. The formation of zwitterions induces a strong electric field that significantly increases the work function of HTM‐coated indium tin oxide substrates. The devices exhibit low dark current and noise, along with high
Jiyoung Shin   +9 more
wiley   +1 more source

Suppression of Photo‐Mediated Traps in Integrated Organic Photovoltaic–Photodetector Devices via N‐Type Self‐Assembly‐Driven Interfacial Engineering

open access: yesAdvanced Functional Materials, EarlyView.
Conventional unstable electron transport layers (ETLs) limit self‐powered organic sensors. This work resolves this by developing a n‐type self‐assembled monolayer (SAM), “3‐PAPh”. This SAM forms a chemically stable and structurally ordered interface that fundamentally suppresses defect formation.
Ohhyun Kwon   +11 more
wiley   +1 more source

Tin‐Oxo Nanocluster Extreme UV Photoresists Equipped with Chemical Features for Atmospheric Stability and High EUV Sensitivity

open access: yesAdvanced Functional Materials, EarlyView.
Fluoroalkyl‐functionalized tin–oxo nanoclusters (N‐TOC6) enable robust pattern formation through ligand crosslinking under EUV exposure without thermal processing. Sn–F coordination mitigates the Lewis acidity of Sn centers, suppressing reactions with airborne molecules and improving post‐exposure pattern stability.
Yejin Ku   +18 more
wiley   +1 more source

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

open access: yesAdvanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim   +13 more
wiley   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

open access: yesAdvanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

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