1k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR54 papers
- Université de LorraineFR38 papers
- Laboratoire de Chimie ThéoriqueFR14 papers
- Sorbonne UniversitéFR10 papers
- Griffith UniversityAU8 papers
- Université Pierre-et-Marie-CurieFR7 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
- Laboratoire Léon BrillouinFR6 papers
- Uppsala UniversitySE6 papers
- CEA Paris-SaclayFR5 papers
- CEA Paris-Saclay - Etablissement de SaclayFR5 papers
- Université Paris-SaclayFR5 papers
4 papers · 1 filter
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
Martin Amft, Sébastien Lebègue, Olle Eriksson +1
We performed a systematic density functional study of the adsorption of copper, silver, and gold adatoms on graphene, especially accounting for van der Waals interactions by the vd…
Range-separated density-functional theory with random phase approximation: detailed formalism and illustrative applications
Julien Toulouse, Wuming Zhu, Janos G. Angyan +1
Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation,…
Simulation of hydrogenated graphene Field-Effect Transistors through a multiscale approach
Gianluca Fiori, S. Lebègue, A. Betti +4
In this work, we present a performance analysis of Field Effect Transistors based on recently fabricated 100% hydrogenated graphene (the so-called graphane) and theoretically predi…
A theoretical analysis of the chemical bonding and electronic structure of graphene interacting with Group IA and Group VIIA elements
M. Klintenberg, S. Lebegue, M. I. Katsnelson +1
We propose a new class of materials, which can be viewed as graphene derivatives involving Group IA or Group VIIA elements, forming what we refer to as graphXene. We show that in s…