Evaluation of endohedral doping of hydrogenated Si fullerenes as a route to magnetic Si building blocks

Density-functional theory based global geometry optimization is used to scrutinize the possibility of endohedral doping of hydrogenated Si fullerenes as a route to Si nanostructures with high magnetic moments. In contrast to previous suggestions, our unbiased sampling finds the smallest Si16H16 endohedral cage generally too small to encapsulate 3d metal dopant atoms. For the next larger fullerene-like cage, however, we identify perfectly symmetric M@Si20H20 (M=Co, Ti, V, and Cr) cage structures as ground states. These structures conserve the high spin moment of the dopant atom and therewith underscore the potential of this Si nanoform for novel cluster-based materials with unique magnetic properties

Vibrational spectra and structures of bare and Xe-tagged cationic Si_nO_m⁺ clusters

Vibrational spectra of Xe-tagged cationic silicon oxide clusters SinOm+ with n = 3–5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The SinOm+ clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The clusters are subsequently irradiated with tunable light from an IR free electron laser and changes in the mass distribution yield size-specific IR spectra. The measured IRMPD spectra are compared to calculated linear IR absorption spectra leading to structural assignments. For several clusters, Xe complexation alters the energetic order of the SinOm+ isomers. Common structural motifs include the Si2O2 rhombus, the Si3O2 pentagon, and the Si3O3 hexagon

Ni-based nanoalloys : towards thermally stable highly magnetic materials

Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin states of the magnetic cores within Ni-based core-shell bimetallic nanoalloys over a wide range of temperatures. We show that, unlike the case of Ni-Al clusters, Ni-Ag clusters preserve high spin states (up to 8 μB in case of Ni13Ag32 cluster) due to small hybridization between the electronic levels of two species. Intriguingly, such clusters are also able to maintain geometrical and electronic integrity of their cores at temperatures up to 1000 K (e.g., for Ni7Ag27 cluster). Furthermore, we also show the possibility of creating ordered arrays of such magnetic clusters on a suitable support by soft-landing pre-formed clusters on the surface, without introducing much disturbance in geometrical and electronic structure of the cluster. We illustrate this approach with the example of Ni13Ag38 clusters adsorbed on the Si(111)-(7×7) surface, which, having two distinctive halves to the unit cell, acts as a selective template for cluster deposition

Ni-based nanoalloys : towards thermally stable highly magnetic materials

Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin states of the magnetic cores within Ni-based core-shell bimetallic nanoalloys over a wide range of temperatures. We show that, unlike the case of Ni-Al clusters, Ni-Ag clusters preserve high spin states (up to 8 μB in case of Ni13Ag32 cluster) due to small hybridization between the electronic levels of two species. Intriguingly, such clusters are also able to maintain geometrical and electronic integrity of their cores at temperatures up to 1000 K (e.g., for Ni7Ag27 cluster). Furthermore, we also show the possibility of creating ordered arrays of such magnetic clusters on a suitable support by soft-landing pre-formed clusters on the surface, without introducing much disturbance in geometrical and electronic structure of the cluster. We illustrate this approach with the example of Ni13Ag38 clusters adsorbed on the Si(111)-(7×7) surface, which, having two distinctive halves to the unit cell, acts as a selective template for cluster deposition

DNA-stabilized Ag-Au bimetallic clusters: The effects of alloying and embedding on optical properties

Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical properties of AgnAun (n = 2–6) nanoalloys both as individual clusters and as clusters stabilized with the fragments of DNA of different size. We show that alloying can be used to control and tune the level of interaction between the metal atoms of the cluster and the organic fragments of the DNA ligands. For instance, gold and silver atoms are shown to exhibit synergistic effects in the process of charge transfer from the nucleobase to the cluster, with the silver atoms directly connected to the nitrogen atoms of cytosine increasing their positive partial charge, while their more electronegative neighbouring gold atoms host the excess negative charge. This allows the geometrical structures and optical absorption spectra of small bimetallic clusters to retain many of their main features upon aggregation with relatively large DNA fragments, such as a cytosine-based 9-nucleotide hairpin loop, which suggests a potential synthetic route to such hybrid metal-organic compounds, and opens up the possibility of bringing the unique tunable properties of bimetallic nanoalloys to biological applications

The fight against epidemic diseases of the population of the middle Volga region during the years of the civil war

In the first years of Soviet power, the working people of our country had not only to fight on the fronts against foreign invaders and internal counter-revolution, but also to wage a stubborn struggle against another dangerous enemy - epidemics. Lenin assigned the leading role in the fight against epidemics to prevention and sanitation. VD Bonch-Bruevich cites the following statement of VI Lenin: ... Sanitation is everything. This is the prevention of all diseases, otherwise we really love to treat the sick, we very much sympathize and regret the dead and do very little to prevent this morbidity and early, premature deaths. "</jats:p

Feat in the name of life

Our country and all progressive humanity are solemnly celebrating the 40th anniversary of the Soviet people in the Great Patriotic War.</jats:p