Structural and Electronic-Properties of Small Copper Clusters - a First Principles Study
Publications associées (53)
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
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 ...
Genotypic analysis was performed on 48 Mycobacterium tuberculosis complex strains collected from a hospital in Dhaka city. Deletion analysis showed that the isolates were all M. tuberculosis; 13 of them were found to be of the "ancestral" type, while 35 we ...
An HMM-based speaker clustering framework is presented, where the number of speakers and segmentation boundaries are unknown \emph{a priori}. Ideally, the system aims to create one pure cluster for each speaker. The HMM is ergodic in nature with a minimum ...
The energy levels of (TiO2)2, (TiO2)3, and (TiO2H)2 clusters were calcd. using ab initio SCF methods considering both crystal and relaxed geometries. Systematic changes in the valence-level resulting from geometry relaxation are found, which may be related ...
We briefly summarize with 14 refs. trends in the structural and electronic properties of small clusters of Na, Mg and Si. In particular, the validity of the spherical jellium picture is discussed and the applicability of the concepts used to classify magic ...
Mass selected Ag/sub n/ clusters (n=1,7,19) from a secondary ion source have been deposited onto a Pt(111) substrate at low temperature. The surface and resulting cluster morphology have subsequently been characterized within the same UHV chamber by variab ...
An HMM-based speaker clustering framework is presented, where the number of speakers and segmentation boundaries are unknown \emph{a priori}. Ideally, the system aims to create one pure cluster for each speaker. The HMM is ergodic in nature with a minimum ...
Equilibrium geometries and electronic properties of neutral and anionic Cu-n (n = 2, 10) clusters are determined via first-principles calculations which treat s and d electrons on an equal footing. We find cluster shapes similar to those reported in the li ...
The densities of states for small (TiO2)x-clusters, x = 1, 3, 6, 9, and 14, were calcd. by means of the INDO method. The shape of the valence bands' d. of states (DOS) are discussed in terms of the distribution of coordination nos. A one-slab cluster with ...
The electronic structures of different phosphates were studied by using the DV-X alpha cluster molecular orbital method, Experimental data on crystal structures from x-ray diffraction measurements were used to set up realistic model clusters. Theoretical X ...