A cluster is a group of identical molecules or atoms loosely bound by inter-atomic forces. The optimal geometry minimizes the potential energy — usually modelled as the Lennard-Jones potential — of the cluster. The minimization of the Lennard-Jones potential is a very difficult global optimization problem with extremely many local minima. In addition to cluster problems, the Lennard-Jones poten...

We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag(2), or Ag(3) atomic clusters and poly(methacrylic acid) using the time-dependent density-functional theory. The polymer is found to have an extensive structural-dependency on the spectral patterns of the hybrid systems relative to the bare clusters. The absorption spectrum can be "tuned" to the vi...

From atomic level to understand the cluster-size-dependant behavior of dye-sensitized photocatalysts is very important and helpful to design new photocatalytic materials. Although the relationship between the photocatalytic behaviors and particles' size/shape has been widely investigated by theoretical scientists, the experimental evidences are much less. In this manuscript, we successfully syn...

In this study, we used a 30 keV argon cluster ion beam bombardment to investigate the dynamic processes during nano-ripple formation on gold surfaces. Atomic force microscope analysis shows that the gold surface has maximum roughness at an incident angle of 60° from the surface normal; moreover, at this angle, and for an applied fluence of 3 × 1016 clusters/cm², the aspect ratio of the nano-rip...

Resonant 2p x-ray absorption spectra of size-selected transition metal ions and clusters consisting of 1<or=n<or=200 atoms are reported. Remnants of atomic multiplet splitting in L(2,3)-edge x-ray absorption can be resolved up to the trimer, above which the overall line shape is already bulklike. A strong cluster size dependence of the L(2,3) branching ratio was found for titanium, vanadium, an...

Non-contact atomic force microscopy (AFM ) was employed following emersion to examine Au nanoclusters deposited from aqueous mixtures of HF and 10−4 M 2 onto Si(111). As the HF concentration is increased, the growth rates both parallel and perpendicular to the substrate of the approximately oblate Au hemispheroids increase. AFM images were obtained for times at which previously reported in situ...

A cold atomic cluster can be very rapidly heated and compressed by a hypersonic impact at a hard surface. The impact can be simulated by computing a classical trajectory for the motion of the atoms. By suddenly confining the hot and dense cluster within a rigid container, it is possible to monitor the time evolution of the force acting on the faces of the container. It is found that the pressur...