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e report an investigation concerning the influence of ion bombardment on the nanostructure and physical properties of Zr–Si–N nanocomposite thin films. The films were deposited by reactive magnetron sputtering from individual Zr and Si targets. The Si cont ...
The energetics of dissocn. reactions of S82+ into stoichiometric mixts. of Sn+, n = 2-7, and Sm2+, m = 3, 4, 6, 10, were investigated by the B3PW91 method [6-311+G(3df)//6-311+G*] in the gas phase and in soln., with solvation energies calcd. using the SCIP ...
Reactions of X2 (X = Br, I), P4 and Ag(CH2Cl2)[Al(OR)4] [R = C(CF3)3] in suitable ratios to prep. naked polyphosphorus cations were carried out and led to products which suggested these elusive cations as intermediates. At temps. >-30 Deg to rt the initial ...
Using a density functional approach, we study the energetics of various charged hydrogen states in the Si(100)-SiO2-HfO2 gate stack. We describe the SiO2-HfO2 transition region through model structures of amorphous hafnium silicate HfxSi1-xO2 with differen ...
We have developed a simple and quant. explanation for the relatively low melting temps. of ionic liqs. (ILs). The basic concept was to assess the Gibbs free energy of fusion (ΔfusG) for the process IL(s) -> IL(l), which relates to the m.p. ...
As a consequence of inherently weak interactions between the chloride anion and the 1-butyl-3-methylimidazolium cation (ca. 15 kJ/mol), chloride dissociation from a transition-metal complex can be thermodynamically disfavored in ionic liquids. Therefore, w ...
We report a calculation of the correlation function of the local density of states in a disordered quasi-one-dimensional wire in the unitary symmetry class at a small energy difference. Using an expression from the supersymmetric sigma model, we obtain the ...
The first part of this laboratory study deals with heterogeneous reactions of bromine- and chlorine-containing species relevant to the atmosphere with solid model alkali salt substrates. The second part of this work treats the heterogeneous interaction of ...
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 ...
Prepn. of the title compd. (I) from starting materials CI4 and AgAl{OC(CF3)3}4 was performed with the complete exclusion of light and with carefully purified diiodine-free CI4, since CI4 decomps. within minutes in soln. in light with formation of I2 ...
