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Isoelectronic clusters with the same basic cage structures may exhibit surprisingly different magnetic properties. For instance, nucleus-independent chem. shift (NICS) values, computed at cluster centers, may range considerably in magnitude and even change ...
The properties of materials can be created and improved either by confining their dimensions in the nanoscale or by controlling their nanostructure. We have combined these two concepts, and here we describe a new class of nanostructured nanosized materials ...
Many low oxidation state transition metal (carbonyl) clusters are salts and are highly soluble in ionic liquids. Since many are also effective catalysts/precatalysts for hydrogenation reactions, we have conducted a catalytic study of these compounds in ion ...
The reaction mechanisms of ZrCl4 adsorption and dissociation on Ge/Si(100)-(2 x 1) surface as the initial stage of ZrO2 atomic layer deposition process are investigated with density functional theory (DFT). The Si-Si, Si-Ge and Ge-Ge one-dimer cluster mode ...
We propose a theory of the origin of transport nonuniversality in disordered insulating-conducting compounds based on the interplay between microstructure and tunneling processes between metallic grains dispersed in the insulating host. We show that if the ...
The reproducible synthesis of the unusual ionic aluminum compd. [Tl3F2Al(OR)3]+[Al(OR)4]- (1) is reported. In the reaction of Li[Al(OR)4] [R = C(H)(CF3)2] with TlF the initially desired Tl[Al(OR)4] only formed with an exact 1:1 stoichiometry, while an exce ...
We propose a theory of the origin of transport nonuniversality in disordered insulating-conducting compounds based on the interplay between microstructure and tunneling processes between metallic grains dispersed in the insulating host. We show that if the ...
We model Si 2p core-level shifts at Si-(ZrO2)(x)(SiO2)(1-x) interfaces for varying Zr content x. Using a first-principles approach, we calculate Si 2p shifts for a model interface and for cluster models, and establish the validity of a linear dependence of ...
Liquid metal embrittlement (LME) is illustrated on the Cu-Bi and Cu-PbBi systems at 300 C using either constant strain-rate tests at 10(-4) s(-1) or constant load tests at 25% of yield stress. Intergranular penetration was studied in the Ni-Bi system at 70 ...
A disproportionation process of a metastable AlCl solution with a simultaneous ligand exchange-Cl is substituted by N(SiMe(3))(2)-leads to a [Al(69)N(SiMe(3))(2)](3-) cluster compound that can be regarded as an intermediate on the way to bulk metal f ...
