| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Guedj, Cyril
CEA LETI
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2023Homo-epitaxial growth of LiNbO3 thin films by Pulsed Laser depositioncitations
- 2019Atomistic modelling of diamond-type Si x Ge y C z Sn1− x − y − z crystals for realistic transmission electron microscopy image simulations
- 2019Atomistic modelling of diamond-type Si<i>x</i>Ge<i>y</i>C<i>z</i>Sn1−<i>x</i>−<i>y</i>−<i>z</i> crystals for realistic transmission electron microscopy image simulations
- 2018Impact of Hydrogen on Graphene-based Materials: Atomistic Modeling and Simulation of HRSTEM Images
- 2016Measurement of energy‐loss anisotropy along [001] in monoclinic hafnia and comparison with ab‐initio simulations
- 2014Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and <i>ab initio</i> time-dependent density-functional theorycitations
- 2013Measurement of Complex Conductance in the PHz Frequency Range with Subnanometric Spatial Resolution: Application to the Grain Boundary of Monoclinic Hafniacitations
- 2008Evaluation of ellipsometric porosimetry for in‐line characterization of ultra low‐κ dielectricscitations
- 2006Influence of electron-beam and ultraviolet treatments on low-k porous dielectricscitations
Places of action
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document
Impact of Hydrogen on Graphene-based Materials: Atomistic Modeling and Simulation of HRSTEM Images
Abstract
The hydrogen energy transition is highly probable, because hydrogen is the most abundant element in the universe and represents an ideal “green” source of energy. Meanwhile, the safe hydrogen production and storage remains a major challenge still in progress. Potential production and storage materials include graphene. In terms of electronic and optoelectronic applications, hydrogen can tune the bandgap of graphene [1]. Hydrogen also plays a major role during the Chemical Vapour Decomposition (CVD) growth of graphene [2]. Hence, hydrogenated graphene-based materials are potentially relevant for various technological applications.To understand and optimize the device efficiency and the interface engineering, it is advantageous to perform advanced nanocharacterizations, linked to numerical modelling and simulations. This task is particularly difficult, because hydrogen is labile and prone to rapid reorganization. This structural evolution may be monitored with transmission electron microscopy (TEM) techniques [3,4,5], but in spite of significant progresses, the direct detection of hydrogen with High Resolution Scanning Transmission Electron Microscopy (HRSTEM) or energy-loss spectroscopy still remains a serious challenge.We investigate here the interaction of hydrogen with graphene using the Brenner module of the SAMSON software platform https://www.samson-connect.net and we propose an original methodology to characterize its structural arrangement at the atomic scale by simulating HRSTEM images to interpret experimental results. In particular, we compare the effect of hydrogen on dark field (DF), bright field (BF), high-angle annular dark filed (HAADF) and annular bright field (ABF) images, to estimate the best technique suited to hydrogen detection.In addition, we present the effect of carbon vacancies and adatoms on the stability of hydrogen coverage, associated to the HRSTEM signatures of the most stable configurations. These results provide the necessary building blocks to analyze the structure and energetics of hydrogenated graphene-based materials at the atomic scale.