相关论文: Aromaticity in a Surface Deposited Cluster: Pd$_4$…
The focused electron beam induced deposition (FEBID) process was used by employing a Gemini SEM with a beam characteristic of 1keV and 24pA for the deposition of pillars and line shaped deposits with heights between 9nm to 1um and widths…
The adsorption of Ag$_3$ and Ag$_4$ clusters on the $\alpha$-Al$_2$O$_3$(0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that silver…
We experimentally studied a clusterization process in a system of polyamide tracers that are used for visualizing the flow of liquids on their surface. It was shown that in a surface structure system appearing on the water surface a Pareto…
Applying the mean surface density of companions, Sigma(r), to the dynamical evolution of star clusters is an interesting approach to quantifying structural changes in a cluster. It has the advantage that the entire density structure,…
We present a density-functional theory study addressing the on-surface adsorption of oxygen at the Pd(11N) (N =3,5,7) vicinal surfaces, which exhibit (111) steps and (100) terraces of increasing width. We find the binding to be…
An extremely broad and important class of phenomena in nature involves the settling and aggregation of matter under gravitation in fluid systems. Some examples include: sedimenting marine snow particles in lakes and oceans (central to…
In order to resolve the controversy about the low density region of the phase diagram of the 4He monolayer on graphite, we have undertaken a path integral Monte Carlo study of the system. We provide direct evidence that the low density…
Understanding the atomic mechanism of low-temperature CO oxidation on a heterogeneous catalyst is challenging. We performed density functional theory (DFT) calculations to identify the surface structure and reaction mechanism responsible…
In this paper, we present a theoretical investigation of photoabsorption spectrum of the newly synthesized hydrogenated cluster of aluminium, Al4H6. The calculations are performed within the wave-function-based semi-empirical method…
The nucleation, distribution, composition and structure of Pd nanocrystals in SiO$_2$ multilayers containing Ge, Si, and Pd are studied using High Resolution Transmission Electron Microscopy (HRTEM) and X-ray Photoelectron Spectroscopy…
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab…
We establish basic properties of cluster algebras associated with oriented bordered surfaces with marked points. In particular, we show that the underlying cluster complex of such a cluster algebra does not depend on the choice of…
The paper contains a description of the links of complex surface germ.
We investigate morphologies of semiflexible polymer rings, such as circular DNA, which are adsorbed onto topographically or chemically structured substrate surfaces. We classify all equilibrium morphologies for two striped surface…
The structural properties of amorphous GeO$_2$, a prototypical network glass, were investigated under ambient to high pressure using reverse Monte Carlo simulations based on reported structure factors from in situ high-pressure neutron…
Using a combined quantum mechanical/classical method, we study the dynamics of deposition of small Na clusters on Ar(001) surface. We work out basic mechanisms by systematic variation of substrate activity, impact energy, cluster…
Antiphase domain boundaries (APDBs) in the ($n \times 1$)($n=4,5$) reconstructions of the SrTiO$_3$(110) surface were studied with scanning tunneling microscopy, x-ray photoemission spectroscopy, and density functional theory (DFT)…
The morphology of growing Pd nano-particles on MgO(001) surfaces have been investigated in situ, during growth, by grazing incidence small angle x-ray scattering, for different substrate temperatures. The 2D patterns obtained are…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…