相关论文: Vanadium oxide clusters in substellar atmospheres:…
Recently, Suzaku has produced temperature and entropy profiles, along with profiles of gas density, gas fraction, and mass, for multiple galaxy clusters out to ~r_200 (~= virial radius). In this paper, we compare these novel X-ray…
Zn nanoclusters (NCs) are deposited by Low-energy cluster beam deposition technique. The mechanism of oxidation is studied by analysing their compositional and morphological evolution over a long span of time (three years) due to exposure…
Cathodoluminescence VUV spectra of free pure nitrogen clusters produced by condensation of gas mixtures in supersonic jets expanding into vacuum were studied. The clusters were of icosahedral structure, as evidenced by our electron…
The UV-visible and IR properties of the Cu$_{38}$ nanocluster depend to a great extent on the temperature. Density functional theory and nanothermodynamics can be combined to compute the geometrical optimization of isomers and their…
We have performed a series of N-body/hydrodynamical (TreeSPH) simulations of clusters and groups of galaxies, selected from cosmological N-body simulations within a $\Lambda$CDM framework: these objects have been re-simulated at higher…
Vanadium dioxide (VO$_2$) is a strongly-correlated material that exhibits insulator-to-metal transition (IMT) near room temperature, which makes it a promising candidate for applications in nanophotonics or optoelectronics. However,…
Aluminum oxide (alumina, Al$_{2}$O$_{3}$) is a promising candidate as a primary dust condensate in the atmospheres of oxygen-rich evolved stars. Therefore, alumina \textit{seed} particles might trigger the onset of stellar dust formation…
The O vacancy (Ov) formation energy, $E_\textrm{Ov}$, is an important property of a metal-oxide, governing its performance in applications such as fuel cells or heterogeneous catalysis. These defects are routinely studied with density…
In recent years, vanadium oxides have gained immense attention in the field of energy storage devices due to their low-cost, layered structure and multi-valency despite their limited electrical conductivity and lower structural stability.…
The strong deviation in the properties of X-ray clusters from simple scaling laws highlights the importance of non-gravitational heating and cooling processes in the evolution of proto-cluster gas. We investigate this from two directions:…
Using a set of hydrodynamical simulations of 9 galaxy clusters with masses in the range 1.5 10^{14} M_sun < M_vir < 3.4 10^{15} M_sun, we have studied the density, temperature and X-ray surface brightness profiles of the intracluster medium…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
In this paper we investigate, using high resolution N-body simulations, the density profiles and the morphologies of galaxy clusters in seven models of structure formation. We show that these properties of clusters are closely related to…
We investigate the high-temperature effect on the nuclear matter that consists of mixture of nucleons and all nuclei in the dense and hot stellar environment. The individual nuclei are described within the compressible liquid-drop model…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
We predict the structures of neutral gas-phase gold clusters ($Au_n$, $n$ = 5$-$13) at finite temperatures based on free-energy calculations obtained by replica-exchange ab initio molecular dynamics. The structures of neutral…
The structural and electronic properties of small scandium oxide clusters ScnOm (n = 1 - 3, m = 1 - 2n) are systematically studied within the screened hybrid density functional theory. It is found that the ground states of these scandium…
Vanadium pentoxide (V2O5), the most stable member of vanadium oxide family, exhibits interesting semiconductor to metal transition in the temperature range of 530-560 K. The metallic behavior originates because of the reduction of V2O5…
OB star clusters originate from parsec-scale massive molecular clumps. We aim to understand the evolution of temperature and density structures on the intermediate-scale ($\lesssim$0.1-1 pc) extended gas of massive clumps. We performed…
The work function is the parameter of greatest interest in many technological applications involving charge exchange mechanisms at the interface. The possibility to produce samples with a controlled work function is then particularly…