Results 171 to 180 of about 4,006,732 (341)

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

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

Multipurpose Transparent Nanocomposites for Gamma Spectroscopy, Pulse Shape Discrimination, Thermal Neutron Detection, Radiation Shielding, and High Refractive Index Applications

open access: yesAdvanced Functional Materials, EarlyView.
Materials exist that are useful for gamma scintillation, radiation shielding, neutron‐gamma pulse shape discrimination (PSD), thermal neutron detection, or high refractive index applications. While certain materials have exhibited optimal performance for each of these applications, none achieve multiple functions.
Isabelle Winardi   +13 more
wiley   +1 more source

Electric Field‐Dependent Conductivity as Probe for Charge Carrier Delocalization and Morphology in Organic Semiconductors

open access: yesAdvanced Functional Materials, EarlyView.
Applying a high electric field to a doped organic semiconductor heats up the charge carrier distribution beyond the lattice temperature, enhancing conductivity. It is shown that the associated effective temperature can be used to extract the effective localization length, which is a characteristic length scale of charge transport and provides ...
Morteza Shokrani   +4 more
wiley   +1 more source

Nanolayer‐Encapsulated Stretchable Liquid‐Metal Sheets for Thermal Management

open access: yesAdvanced Functional Materials, EarlyView.
A stretchable liquid metal sheet with both high thermal conductivity and mechanical flexibility is developed. Its trilayer structure, comprising copper‐particle‐dispersed gallium liquid metal encapsulated by styrene‐butadiene‐styrene nanosheets, shows 40.4 W m−1 K−1 conductivity, elongation exceeding 200%, and retention of 96% of its initial ...
Daisuke Kuse   +16 more
wiley   +1 more source

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