Results 161 to 170 of about 27,555 (281)

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

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

open access: yesAdvanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo   +9 more
wiley   +1 more source

Development of Compact Electronics for QEPAS Sensors. [PDF]

open access: yesSensors (Basel)
Zecchino V   +5 more
europepmc   +1 more source

Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer

open access: yesAdvanced Functional Materials, EarlyView.
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero   +12 more
wiley   +1 more source

Nano‐ and Micro‐Sized Solid Materials Used as Antiviral Agents

open access: yesAdvanced Functional Materials, EarlyView.
Due to the rise of viral infections in humans and possible viral outbreaks, the use of nano‐ or micro‐sized materials as antiviral agents is rapidly increasing. This review explores their antiviral properties against RNA and DNA viruses, either as a prevention or a treatment tool, by delving into their mechanisms of action and how to properly assess ...
Orfeas‐Evangelos Plastiras   +6 more
wiley   +1 more source

Programmable In‐Situ Interactions Between Resins and Photopolymerized Structures for Seamlessly Integrated Optical Manufacturing of Microlenses

open access: yesAdvanced Functional Materials, EarlyView.
This study presents a dynamic interaction between liquid resins and photopolymerized structures enabled by an in situ light‐writing setup. By controlling a three‐phase interface through localized photopolymerization, which provides physical confinement for the remaining uncured resin regions, the approach establishes a programmable pathway that ...
Kibeom Kim   +3 more
wiley   +1 more source

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