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Using constrained ab initio molecular dynamics, we investigate the reaction of the O-2 molecule at the Si(100)-SiO2 interface during Si oxidation. The reaction proceeds sequentially through the incorporation of the O-2 molecule in a Si-Si bond and the diss ...
We address the rate of O-2 diffusion through the oxide layer at Si-SiO2 interfaces using an atomic-scale approach. In particular, we investigate the combined effect of a percolative diffusion mechanism and of a dense oxide layer located close to the silico ...
We investigate the dielectric permittivity of SiO2 on Si(100) substrates using a first-principles approach. It is shown that both the static and high-frequency dielectric constants of the oxide overlayer increase when the oxide thickness is reduced. This b ...
We investigate at the atomic scale the oxygen diffusion process occurring during silicon oxidation. First, we address the energetics of several oxygen species in the oxide using density-functional calculations. Our results support the interstitial O-2 mole ...
We present a technology for the fabrication of three dimensional microfluidic channels in optically transparent substrates consisting of polymers with different properties. The microstructures are fabricated using polymer replication techniques with a view ...
The microstructural properties of Ag thick-film contacts on P diffused [100] Si wafers are investigated. By transmission electron microscopy, the contact interface is ound to be composed of mostly 100-500 nm sized Ag crystallites penetrating into the si on ...
We develop SOFC based on a NiO–YSZ anode support, a thin YSZ layer (5–10 micron) and a LaSrMnO3 cathode. Mn and Ni can dissolve into thin zirconia during high temperature fabrication. On cells, we consistently measured higher ohmic losses than expected fro ...
Zircaloy-4 has been oxidised in environmental scanning electron microscope (ESEM), at a temperature of 700 °C and the surface of the material has been observed during the oxidation, directly in the ESEM. The material has been subsequently analysed by atomi ...
We have modeled the decomposition of nonstoichiometric amorphous SiOx upon annealing into silicon and stoichiometric silica, using a new method based on mapping Metropolis Monte Carlo simulations onto rate equations. The concentrations of all oxidation sta ...
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 ...