A5083173817- Quantum Dots Synthesis And Properties
- Chalcogenide Semiconductor Thin Films
- Machine Learning in Materials Science
- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Optical and Acousto-Optic Technologies
- Gold and Silver Nanoparticles Synthesis and Applications
- Spectroscopy Techniques in Biomedical and Chemical Research
- Copper-based nanomaterials and applications
- Nanocluster Synthesis and Applications
- Advanced Chemical Physics Studies
Université de Lille
2022-2024
Université Polytechnique Hauts-de-France
2022-2023
Centre National de la Recherche Scientifique
2019-2023
École Centrale de Lille
2022-2023
Institut d'électronique de microélectronique et de nanotechnologie
2022-2023
STMicroelectronics (India)
2022
Laboratoire de Physique et Chimie Théoriques
2019
Université de Lorraine
2019
Correlated quantum-chemical methods for condensed matter systems, such as the random phase approximation (RPA), hold promise of reaching a level accuracy much higher than that conventional density functional theory approaches. However, high computational cost hinders their broad applicability, in particular finite-temperature molecular dynamics simulations. We propose method couples machine learning techniques with thermodynamic perturbation to estimate properties using correlated...
As nanocrystals (NCs) gain maturity, they become central building blocks for optoelectronics in devices such as solar cells and, more recently, infrared focal plane arrays. Now that the proof of concept these has been established, their optimization requires a deeper understanding electronic and optical features to engineer optoelectronic properties accurately. Though PbS NCs have extensively investigated, complex index NC thin films remains mostly unknown. Some previous works unveiled this...
Quantum confinement opens a large energy gap Eg in HgTe nanocrystals (NCs), which is non-trivial semi-metal (Egbulk < 0) the bulk crystal limit. In this context, we present theoretical study of evolution dielectric and optical properties from material to isolated NCs up compact films NCs. latter case, compare calculated complex constant with one measured by broadband ellipsometry on synthesized colloidal NC film. The theory-experiment agreement excellent, demonstrating interest simulations...
PbS quantum dots (QDs), among the most mature nanocrystals obtained by colloidal chemistry, are promising candidates in optoelectronic applications at various operational frequencies. QD device performances often determined charge transport, either carrier injection before photoemission or detection after photoabsorption, which is significantly influenced dielectric environment. Here, we present electronic structure and optical gap of QDs versus size for solvents calculated using ab initio...