Nucleation and growth of supported clusters at defect sites: Pd/MgO(001)
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We investigate the structure and mobility of single self-interstitial atom and vacancy defects in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and tantalum) and 6B (chromium, molybdenum, and tungsten) of the Periodic Table. D ...
Irradiation is known to lead to a degradation of the mechanical properties of materials. This is particularly crucial in the case of materials that will be used in the future thermonuclear fusion reactor, where extremely high irradiation doses are expected ...
Tobacco Mosaic Virus (TMV) is composed of 2130 identical coat protein subunits following the right-handed helix of an accompanying RNA strand to produce a 300 nm hollow cylinder with an outer diameter of 18 nm and a 4 nm wide central channel. In this work, ...
We investigate carbon single-atom and pair defects at the SiC/SiO2 interface as candidate defects for the density of defect states in the SiC band gap. In order to accurately describe the electronic defect levels with respect to the SiC band edges, we use ...
Ferritic/martensitic (F/M) steels show good resistance to swelling and low damage accumulation upon irradiation relative to stainless steels. 0.3 wt% yttria particles were added to the F/M steel EUROFER 97 to produce oxide dispersion strengthened (ODS) ste ...
The synthesis of silicon nanowires by Ga-assisted plasma enhanced chemical vapor deposition (PECVD) has been recently demonstrated. In the present work, we study in detail the structural characteristics of the synthesized nanowires. High resolution transmi ...
We present a method for accelerating GW quasi-particle (QP) calculations. This is achieved through the introduction of optimal basis sets for representing polarizability matrices. First the real-space products of Wannier like orbitals are constructed and t ...
Thermonuclear fusion of light atoms is considered since decades as an unlimited, safe and reliable source of energy that could eventually replace classical sources based on fossile fuel or nuclear fuel. Fusion reactor technology and materials studies are i ...
Many potential applications in nanotechnology require virtually defect-free arrays of nanometre-scale particles over large areas. Guided self-assembly of colloidal particles on patterned templates has been shown to produce ordered arrays of colloidal parti ...
In nanocatalysis, clusters deposited on solid, well-defined surfaces play an important role. For the detection of size effects it is, however, important to prepare samples consisting of deposited clusters of a single size, as their chemical properties chan ...