Single-Molecule Vibrational Spectroscopy of H2O on Anatase TiO2(101)
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your 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 effect of Fe2+, Fe3+, H2O2 and the photo-Fenton system (Fe2+or3+/H2O2/hv) on solar water disinfection (SODIS) at low temperature and at near neutral pH are discussed in detail. We focus on Escherichia coil K12 suspended in either MilliQ water, water co ...
The work presented in this thesis was carried out in the framework of two European projects: SOLWATER, and AQUACAT. The global objective of those projects, including the present work, was to set an autonomous system for drinking water production in develop ...
Background. In recent years, there has been a growing interest in the development of new processes for water disinfection since the traditional processes, such as chlorination, can lead to the production of toxic disinfection by-products. Sunlight has been ...
Competition between charge recombination and the forward reactions required for water splitting limits the efficiency of metal-oxide photocatalysts. A key requirement for the photochemical oxidation of water on both nanostructured alpha-Fe2O3 and TiO2 is t ...
Electron transport through metal-molecule contacts greatly affects the operation and performance of electronic devices based on organic semiconductors(1-4) and is at the heart of molecular electronics exploiting single-molecule junctions(5-8). Much of our ...
The synthesis of bismuth vanadate (BiVO4) nanoparticles has drawn considerable attention to their application as a visible-light-driven photocatalyst. Several techniques are addressing the enlargement of surface area, but some of them can cause impurities ...
We show with DFT calculations that hydroxyl formation on anatase TiO2 from dissociation of water molecules is strongly enhanced by a nanostructured state of the oxide, involving the occurrence of complexes consisting of undercoordinated 4-fold Ti-2-fold O ...
Using calculations based on density-functional theory, we explore the configurations that water molecules (2,3,4;6) assume on the surface a sodium 2:1 smectite clay with isomorphic substitutions both on octahedral and tetrahedral sheets. The hydrophilicity ...
Organic semiconductors are promising materials for future electronic and electroluminescence applications. A detailed understanding of organic layers and nano-sized crystals down to single molecules can address fundamental questions of contacting organic s ...