We study the optical and structural properties of nanomaterials and 2D materials based on numerical simulations combining electrodynamics and electronic structure approaches. Our aim is to explain and predict material properties in order to address fundamental and applied challenges.
- Plasmonic response of metallic and semiconducting nanoparticles based on the discrete dipole approximation (DDA). This research includes surface-enhanced molecular response (SERS, SEIRA), dual-band electrochromism, electronic energy loss spectroscopy (EELS), ...
A. Maho et al. "Solvothermally-synthesized tin-doped indium oxide plasmonic nanocrystals spray-deposited onto glass as near-infrared electrochromic films" Solar Energy Materials and Solar Cells 9 (2019) 110014
M. Peleaz-Fernandez et al. Toward Laser-Induced Tuning of PlasmonicResponse in High Aspect Ratio Gold Nanostructures." Nanophotonics 2022
- Spectroscopic responses of 2D materials and their derivatives based on density functional theory (DFT) and the semi-empirical (Tight-Binding) approach. This research includes simulations of optical and magnetic responses, STM fingerprints, ...
G. Dobrik et al. "Large-area nanoengineering of graphene corrugations for visible-frequency graphene plasmons". Nature Nanotechnology 17 (2022) 61
A. Honet et al. "Semi-empirical many-body formalism of optical absorption in nanosystems and molecules". Carbon Trends 4 (2021) 100073
F. Joucken et al. "Electronic properties of chemically doped graphene" Phys. Rev. Materials 3 (2019) 110301
- Optical response of anisotropic heterostructures of 2D materials. This research includes the study of the role of anisotropy and the development of effective media theory.
B. Majerus et al. "Electrodynamics of two-dimensional materials: Role of anisotropy". Phys. Rev. B 12 (2018) 125419
- Growth of 2D and carbon-based materials. This research includes the first steps in the growth of 2D graphene and BN layers and diamond surfaces.
N. Reckinger et al. "Restoring self-limited growth of single-layer graphene on copper foil via backside coating". Nanoscale 11 (2019) 5094
P. Gaillard et al. "Growth of nitrogen-doped graphene on copper: Multiscale simulations". Surface Science 644 (2016) 102
Our group has developed the DDEELS software for the simulation of optical and EELS responses of nanosystems, based on the discrete dipole approximation (DDA).
Research group members
Sujets de thèse
- Simulations numériques des propriétés optiques et des réponses spectroscopiques (EELS) de systèmes plasmoniques : nanoparticules métalliques et semi-conductrices, matériaux 2D, ...
- Simulations numériques des propriétés structurales et électroniques des matériaux carbonés et des matériaux 2D : Croissance et signatures spectroscopiques (STM, Raman)