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Shergottites and Chassignites practiced major deformation effects whose nature, magnitude and relevance were controversially evaluated and disputatively debated. Our studies of many shocked shergottites present, contrary to numerous previous reports, ample ...
We present a density functional modelling study of Zn, Cu and Ni impurities in hydrogen-terminated germanium clusters. Their electronic structure is investigated in detail, especially their Jahn-Teller instabilities and electrical levels. Interstitial and ...
An easy method for fabricating micro- and nanofluidic channels, entirely made of a thermally grown silicon dioxide is presented. The nanochannels are up to 1-mm long and have widths and heights down to 200 nm, whereas the microfluidic channels are 20-μm wi ...
In the frame of this thesis, two similar high current DC arc (HCDCA) plasma sources were investigated in a low gas pressure regime (10-3-10-2 mbar). One of them was initially designed for the epitaxial growth of silicon and silicon germanium (LEP), the oth ...
Through hybrid density functional calculations, we compare the Ge-Ge bond energy with the formation energy of a valence alternation pair as the O concentration varies across the Ge/GeO2 interface. First, hole trapping energies are calculated for three atom ...
Femtosecond laser-dielectric interaction in a three-dimensional (3D) manner defines a capable platform for integrated 3D micro-devices fabricated out of a single piece of system-material. Here, we add a new function to femtosecond laser-based single monoli ...
Band offsets of the Ge/GeO2 interface are calculated through a hybrid density functional scheme. We first generate a model of disordered GeO2 through ab initio molecular dynamics to describe the oxide component. For addressing the interface, we then consid ...
Silicon dioxide (SiO2) films grown on silicon monocrystal (Si) substrates form the gate oxides in current Si-based microelectronics devices. The understanding at the atomic scale of both the silicon oxidation process and the properties of the Si(100)-SiO2 ...
NMR parameters of Ge-73 and O-17 in vitreous GeO2 and quartz GeO2, including the isotropic shifts, the quadrupole coupling constants C-Q, and the electric-field-gradient asymmetry parameters., are determined through density functional calculations. Clear c ...
This Feature Article reports on the controlled formation and structure-functionality aspects of vacuum-deposited self-assembled organic and metal-organic networks at metal surfaces using ditopic linear and nonlinear molecular bricks, namely di-carbonitrile ...