Unité

Chaire de simulation à l'échelle atomique

Laboratoire

Publications associées (1 000)

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.

Connectez-vous pour utiliser Chat avec Graph Search

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Chaire de simulation à l'échelle atomique

Graph Chatbot

Chattez avec Graph Search

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Picture of the wet electron: a localized transient state in liquid water

Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals

Enhanced Electron-Phonon Interaction in Multivalley Materials

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

First-principles calculations of iodine-related point defects in CsPbI3

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

Enhanced Electron-Phonon Interaction in Multivalley Materials

Picture of the wet electron: a localized transient state in liquid water

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals

Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

First-principles calculations of iodine-related point defects in CsPbI3

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides