Infrared spectra of jennite and tobermorite from first-principles
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.
We apply gas-phase double resonance spectroscopic techniques to two helical peptides, Ac-Phe-(Ala)5-Lys-H+ and Ac-Phe- (Ala)10-Lys-H+, using electrospray ionization combined with photofragmentation in a cold, 22-pole ion trap. Despite the large size of the ...
We investigate here the mechanism of collisionally-enhanced isotopic selectivity observed in infrared multiple photon dissociation (IRMPD) of vibrationally pre-excited CF3H by Boyarkin et al. (J. Chem. Phys. 118, 93 (2003)). For both the carbon-12 and carb ...
We report here infrared spectra of protonated and lithiated valine with varying degrees of hydration in the gas phase and interpret them with the help of DFT calculations at the B3LYP/6-31++G** level. In both the protonated and lithiated species, our resul ...
We report on intersubband absorption of near infrared radiation in AlN/GaN superlattice structures grown by metal-organic vapor-phase epitaxy. A good correlation between well thickness and absorption peak energy was obtained. One sample shows a photovoltai ...
We study the infrared properties of the Si-SiO2 interface within a first-principles approach. In order to provide an atomic-scale description of the dielectric permittivity (both high-frequency and static) and of the infrared absorption at the interface, w ...
The geometry of crescent-shaped noble-metal nanoparticles is systematically varied in terms of shape and size. The resulting changes in the plasmonic resonances of these structures are investigated by extinction spectroscopy revealing a rich polarization-d ...
Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2007
To study the electronic interactions in donor-acceptor (D-A) ensembles, D and A fragments are coupled in a single molecule. Specifically, a tetrathiafulvalene (TTF)-fused dipyrido[3,2-a:2′,3′-c]phenazine (dppz) compound having inherent redox centers has be ...
Carbon-13 labelled methane was injected into the outer divertor during a series of H-mode discharges on the last day of operations with the JET MkII-SRP divertor. Tiles from around the vessel were removed during the subsequent shutdown and surface deposits ...
The occurrence of an ultrathin SiO2 oxide layer at the interface between silicon and high-k dielectrics in metal-oxide-semiconductor devices contributes to degrading the capacitance of the gate stack. In this work, we investigate the dielectric and infrare ...
We report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry ...
