A5079354447- Semiconductor materials and devices
- Ion-surface interactions and analysis
- Silicon and Solar Cell Technologies
- Advancements in Semiconductor Devices and Circuit Design
- Nuclear reactor physics and engineering
- Zeolite Catalysis and Synthesis
- Nuclear Physics and Applications
- Nuclear Materials and Properties
- Mesoporous Materials and Catalysis
- Clay minerals and soil interactions
- Radioactive Decay and Measurement Techniques
- Advanced Chemical Physics Studies
- X-ray Spectroscopy and Fluorescence Analysis
- Semiconductor materials and interfaces
- 3D IC and TSV technologies
- GaN-based semiconductor devices and materials
- Radiation Effects in Electronics
- Advanced ceramic materials synthesis
- Chemical Synthesis and Characterization
- Boron and Carbon Nanomaterials Research
- Quasicrystal Structures and Properties
- Advanced NMR Techniques and Applications
- Integrated Circuits and Semiconductor Failure Analysis
- Nanowire Synthesis and Applications
Commissariat à l'Énergie Atomique et aux Énergies Alternatives
2020-2025
CEA DAM Île-de-France
2020-2025
IFP Énergies nouvelles
2022-2024
Laboratoire d'Analyse et d'Architecture des Systèmes
2020-2021
Centre des Matériaux
2020-2021
CEA Cadarache
2020
CEA Grenoble
2020
Université de Lorraine
2017
Centre National de la Recherche Scientifique
2017
École Nationale Supérieure des Mines de Nancy
2017
Faujasite is one of the most industrially employed zeolite material, mainly for catalytic applications. Its properties are dependent on its pore network, which can be tuned by dealumination upon steaming. Previous theoretical studies subject based density functional theory identified plausible mechanisms simple bulk structures faujasite, but to gain a more complete understanding dealumination, and able compare experimental situations, must performed realistic complex systems. In this...
Primary simulations of neutron interactions are performed on Si <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1-x</sub> Ge xmlns:xlink="http://www.w3.org/1999/xlink">x</sub> alloys with a Monte Carlo (MC) code using the binary collision approximation (BCA). Then, statistical study cascades development in xmlns:xlink="http://www.w3.org/1999/xlink">0.8</sub> xmlns:xlink="http://www.w3.org/1999/xlink">0.2</sub> ,...
Abstract Faujasite is one of the most industrially employed zeolite for its catalytic properties. The strong Brønsted bulk bridging Al−OH−Si sites are often thought to be main origin acidity faujasite. However, many reactions also take place at surface material and mesopores, where other types acid exist. This study aims unraveling nature strength faujasite sites. Using Density Functional Theory (DFT), we rank based on their stability, investigate dehydration properties, Lewis via adsorption...
Understanding the generation and evolution of defects induced in matter by ion irradiation is fundamental importance to estimate degradation functional properties materials. Computational approaches used different communities, from space radiation effects nuclear energy experiments, are based on a number approximations that, among others, traditionally neglect coupling between electronic ionic degrees freedom description displacements. In this work, we study collision cascades GaAs,...
The inclusion of sophisticated density-dependent electronic stopping and electron-phonon coupling calculated with first-principles methods into molecular dynamics simulations collision cascades has recently become possible thanks to the development so-called (EPH) model. This paper aims at employing EPH model in Si. In this context, power is investigated Si low energies Ehrenfest calculations. Also, parametrization for Si, from actual performed detailed. We demonstrate that able reproduce...
The atomic structure of the Al13Ru4(010) approximant surface, investigated for annealing temperatures ranging from 873 to 1143 K, can be described by pentagonal motifs and vacancies. It exhibits an atypical surface reconstruction which manifests itself in real space well-separated stripes running about 10° off [001] direction. Their mutual ordering drastically improves at high temperature. This is simultaneously accompanied a filling hollow sites present with atoms or groups atoms. We...
To assess the sensitivity of microelectronic devices to displacement damage, molecular dynamics simulations collision cascades in GaN, Si and Ge are performed. We compare results on these three materials using a wide range data coming from very large amount simulations. The statistical analysis probes into terms generating defects, healing process, formation defect clusters. In we observe that up 90% defects created during cascade initiated by Ga atom disappear after few tens ps. addition,...
Zeolites are widely used as solid acid catalysts from the laboratory to industrial scale. Their thermal stability, mesoporous volume, and catalytic properties can be significantly enhanced by framework dealumination, resulting in formation of defects extra-framework aluminum (EFAL) species, altering surface acidity microporous volume. Understanding dealumination as-synthesized zeolite crystals is critical tuning their activities. However, atomic-scale structural evolution course treatments...