Continuum models of the electrochemical diffuse layer in electronic-structure calculations
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...
The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. ...
Iridium dioxide electrodes form part of the dimensionally stable anodes (DSA®) and this electrode material is widely used in many industrial processes namely water electrolysis, metal electro-winning, cathodic protection and electro-organic synthesis due t ...
This thesis explores transport phenomena in nanochannels on a chip. Fundamental nanofluidic ionic studies form the basis for novel separation and preconcentration applications for proteomic purposes. The measurements were performed with 50-nm-high 1D nanoc ...
Under gas evolution, the current voltage characteristics of an electrochemical cell are strongly affected by the presence of growing bubbles. At high current densities, the evolution of the bubbles becomes the rate limiting step of the electrochemical proc ...
An array of electrodes on which cells could be grown directly was fabricated using silicon anisotropic etching and a thick-photoresist process and employed for the detection of nitric oxide (NO) released from a population of adherently growing human umbili ...
Electrochemical acetoxylation has been widely investigated about 40 years ago. However, there are only a limited number of studies in non-aqueous electrolytes, mainly because of difficulties related with the extremely low electrical conductivity of organic ...
As conventional fabrication techniques reach their limits novel techniques are needed for fabrication of structures in the nanometer range. This thesis investigates new methods to create metal nanostructures or nanoparticles with an STM tip or a sharp meta ...
A device for monitoring the adsorption of target molecules on a substrate, the device comprising a substrate (1), at least a portion of which is formed as a thin dielectric layer. A first, modified surface (2) of the layer has ionizable groups of the subst ...
Active control of ion transport plays important roles in chemical and biological analytical processes. Nanofluidic systems hold the promise for such control through electrostatic interaction between ions and channel surfaces. Most existing experiments rely ...