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A simple but powerful numerical simulation for analyzing the electrochemical behavior of ion-selective membranes and liquid junctions is presented. The computer modeling makes use of a finite-difference procedure in the space and time domains, which can be ...
Potential solutions for energy storage are presented, in the context of renewable energies and in relation with new opportunities in the domain of the use of classical resources as fossils. From the classical pumped hydro storage to smaller energy quantiti ...
The study deals with theoretical as well as with practical aspects of the conversion of geothermal heat to electricity. The report is divided into three parts: • Part I: General study • Part II: Practical experience: planning & operation of geothermal powe ...
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 ...
The effects of the subgrid scales on chemical transformations in large-eddy simulations of the convective atmospheric boundary layer (CBL) are investigated. Dynamic similarity subgrid-scale models are formulated and used to calculate the subgrid-scale cova ...
NH3 adsorption and dissociation on gallium-rich GaAs(0 0 1)-4 x 2 surface have been investigated using hybrid density functional theory. NH3 is found to adsorb molecularly onto GaAs(0 0 1)-4 x 2 via formation of a dative bond with an adsorption energy of 2 ...
Hafnium tetrachloride is one of the most commonly used precursors for atomic layer deposition of HfO2. According to the experimental result, chlorine residue is almost unavoidably incorporated during the deposition process. We performed first-principles ca ...
The connection of twelve peripheral and divergent dodecyloxy chains to a central tridentate aromatic binding unit provides the dodecacatenar ligand L11, for which room- temperature mesomorphism is detected. An enthalpically unbalanced large melting entropy ...
In this thesis, ultra-thin dielectric layers on metal substrates are studied mainly by scanning tunneling microscopy and scanning tunneling spectroscopy. In chapter 2, field emission resonances, i.e. bound states in the potential well between sample and ti ...
In the current economic situation regarding electric generation and conservation of the environment, it is essential to develop sustainable technologies. From this point of view, hydropower is an excellent resource with a consequently high value. The syste ...
