Results 191 to 200 of about 2,379,457 (382)

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

Facile Ester‐based Phase Change Materials Synthesis for Enhanced Energy Storage Toward Battery Thermal Management

open access: yesAdvanced Science
With the increasing demand for thermal management, phase change materials (PCMs) have garnered widespread attention due to their unique advantages in energy storage and temperature regulation. However, traditional PCMs present challenges in modification,
Long Geng   +6 more
doaj   +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

Supplementary Movie S1 from JX06 Selectively Inhibits Pyruvate Dehydrogenase Kinase PDK1 by a Covalent Cysteine Modification

open access: gold, 2023
Wenyi Sun   +15 more
openalex   +1 more source

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

open access: yesAdvanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy