In this work, the adsorption energies and some of main electronic properties selected biological molecules adsorbed onto a (TiO2)20 cluster were studied. With aim, Density-Functional Theory (DFT) calculations performed using SIESTA code. The Perdew–Burke–Ernzerhof (PBE) functional within Generalized Gradient Approximation (GGA) was used for exchange correlation potential. For study, we chose wi...

This work presents a multiscale and multiphysics framework to investigate the radiation-induced damage in nano-crystalline materials. The combines two methodologies, including molecular dynamics simulations with electronic effects long-term atomistic diffusion Using this framework, we investigated materials' self-healing behavior under radiation events. We found that number of defects generated...

in this study, the structures, the ir spectroscopy, and the electronic properties of auncum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (gga) and exchange correlation density functional theory (dft). the study of an o2-auncum system is important to identify the promotion effects of each of the two...

Government regulations to address technological risks are important for the successful development and application of nanotechnology, but there is an ongoing debate in the USA about who is responsible for the regulation of nanotechnology. In a mail survey of leading US nano-scientists, we examine scientists’ perceptions about nano-regulation, including the government level (local, national, or ...

We investigated magnetic and magnetocaloric properties in Sm1-xSrxMnO3 (x = 0.300.5). We report a magnetic field driven first-order metamagnetic transition in the paramagnetic state in x = 0.4 and 0.5 and a second-order transition in x = 0.3. The highest magnetic entropy (-Sm = 6.2 J/kgK for H = 5 T at T = 125 K) that occurs in x = 0.4 is associated with the metamagnetic transition resulting ...

We describe the diagnostics of the particle dynamics during nanoparticle formation by pulsed laser ablation in a background gas. First, we describe the deposition of ZnO nano-structured thin films, along with the results of Rayleigh scattering observation of ZnO nanoparticle formation in the ablation plume. Then, we propose a new imaging technique, called re-decomposition laser-induced fluoresc...

This paper describes a method for producing tungsten oxide nanostructues in an environmental scanning electron microscope. The growth is observed in real time and offers direct observation of the morphology of the tungsten oxide condensed onto the cooler part of a typical W Scanning Electron Microscope filament. We also find that the growth of nanostructures occurs on timescales much shorter th...

The growth of cortical neurons on three dimensional structures of spatially defined (structured) randomly oriented, as well as on vertically aligned, carbon nanotubes (CNT) is studied. Cortical neurons are attracted towards both types of CNT nano-architectures. For both, neurons form clusters in close vicinity to the CNT structures whereupon the randomly oriented CNTs are more closely colonised...