Thermodynamics, structure, and charge state of hydrogen-vacancy complexes in delta-plutonium
Publications associées (55)
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.
Molecular hydrogen is a promising candidate to replace fossil fuels as the energy carrier. Hydrogen does not exist in its molecular form on earth and must therefore be generated, starting from hydrogen-rich compounds. Water would be a renewable resource fo ...
A major challenge in the face of increasing global energy demand is the development of alternative environmentally friendly and renewable energy resources. Hydrogen is an excellent energy carrier, but has drawbacks in storage density and is dangerous to ha ...
Comprehensive studies of gas-solid reactions require the in-situ interaction of the gas at a pressure beyond the operating pressure of ultrahigh vacuum (UHV) X-ray photoelectron spectroscopy (XPS). The recent progress of near ambient pressure XPS allows to ...
Reactions between gas molecules, e.g. H-2 and CO2 and solids take place at the surface. The electronic states and the local geometry of the atomic arrangement determine the energy of the adsorbate, i.e. the initial molecule and the transition state. Here w ...
The interplay of secondary hydrogen bonds of 2- and 3-ethynylpyridine or ethynylbenzene with trimethylphosphate in tetrachloroethene was elucidated using FT-Raman spectroscopy and MP2/6-311 + G(d,p) calculations. The direct participation of C C moiety in t ...
High-level ab initio calculations are used to identify the mechanism of secondary (and primary) alkylperoxyl radical termination and explain why their reactions are much faster than their tertiary counterparts. Contrary to existing literature, the decompos ...
We show that substituting quaterthiophene cores with strong H-bond aggregators, such as urea groups, provides an efficient way to adjust the mutual in-plane displacements of the semiconducting units and promote charge transfer. Our 2-D structure-property m ...
LiBH4 contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temper ...
Density functional theory calculations have been performed to provide details of the structural and charge-transfer details related to the solid solution of hydrogen in (delta)-plutonium. We follow the Flanagan model that outlines the process by which hydr ...
Norrish-type-II reaction on a semiquinone radical: Stable semiquinone radicals serve as novel molecular platforms on which a Norrish-type-II photoreaction can be initiated. A detailed reaction scheme involving a 1,5-hydrogen transfer followed by a cyclizat ...