Abstract The optoelectronic properties of several Ag 2 S/graphene and FeS /graphene nanostructures are examined through density functional theory calculations including dispersion forces. First, we analyzed the electronic structure S nanocluster models, as prototypes quantum dots, focusing on absorption spectra. In case nanoparticle, both ferro- antiferromagnetic arrangements were considered. T...

The early stages of nanocrystal nucleation and growth are still an active field of research and remain unrevealed. In this work, by the combination of aberration-corrected transmission electron microscopy (TEM) and electrochemical characterization of the electrodeposition of different metals, we provide a complete reformulation of the Volmer-Weber 3D island growth mechanism, which has always be...

Temperature and size effects on the behavior of nanoscale water molecule clusters are investigated by molecular dynamics simulations. The flexible three-centered (F3C) water potential is used to model the inter- and intramolecular interactions of the water molecule. The differences between the structural properties for the surface region and those for the interior region of the cluster are also...

We explore the occurrence of low-energy and low-temperature transient cluster burrowing leading to intact cluster inclusions. In particular, the anomalously fast (ballistic) Pt nanocluster implantation into Al and Ti substrates has been found by molecular dynamics simulations using a tight-binding many-body potential with a 1-10 eVatom low impact energy. A similar behavior has also been found f...

How do boron–nitride and Möbius–type nanobelts interact with nickel, cadmium, lead nanoclusters? In order to find the lowest energy geometries, binding energies, complex stability, electrical characteristics, we applied semiempirical tight framework, as implemented in xTB software, this subject. Our simulations demonstrate that heavy metal nanoclusters favorably connect both nanobelts, while na...

Under oxidative stress conditions, which are defined as the deterioration of antioxidant and prooxidant balance in organism favor prooxidants, ROS species that trigger formation various diseases occur. The fact these harmful cause damage to biological macromolecules is expressed activity. In this study, Cu(II)‒catalyzed activities pomegranate, apricot, peach, pear juices extracts mint, white te...

Nanocluster Im Forschungsartikel auf S. 22467 berichten Eunji Sim, Dongil Lee et al. über den Einbau eines Rhodiumhydrid-Superatoms in ein Cluster-Superatom zur Erzeugung stabilen Superatom-in-Superatom-Nanoclusters, [[email protected]24(SR)18]2−.

Based on the fact that the fluorescence response pattern of a silver nanocluster to a specific analyte is highly dependent on the nature of the DNA template, we develop a novel fluorescence turn-on assay for thiol compounds with high specificity and sensitivity by modulating DNA-templated silver nanoclusters.