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Frederik Tielens

12
Documents
Identifiants chercheurs
  • IdHAL ftielens
  • ResearcherId : E-3176-2010
  • ORCID 0000-0002-6760-6176
  • Google Scholar : https://scholar.google.fr/citations?user=QxEyttMAAAAJ&hl=en&oi=ao
  • IdRef : 180876341
  • ResearcherId : http://www.researcherid.com/rid/E-3176-2010

Présentation

Welcome to my web site "Materials Modeling". At the Laboratory of Chemistry of Condensed Matter of Paris, at the University Pierre et Marie Curie we specialize in the characterization of inorganic, organic and biological solid materials. Together with experimental material and surface chemists, we develop models that can predict and describe complex adsorption and self-assembly processes. The simulation and interpretation of spectra, as well as the calculation of electron density and its derivatives, are central in the unraveling of the materials surface and bulk structures at the atomic level.
*Bienvenue sur mon site "Modélisation de Matériaux". Au Laboratoire de Chimie de la Matière Condensée de Paris de l'Université Pierre et Marie Curie nous nous spécialisons dans la caractérisation de solides inorganiques, organiques et biologiques. Ensemble, avec des chimistes des matériaux expérimentateurs, nous développons des modèles, permettant de prédire et de décrire des processus d'adsorption et d'auto-assemblage complexes.* *La simulation et l'interprétation de spectres ainsi que la densité électronique et dérivées prennent un place centrale dans la compréhension de la structure des surfaces et bulk des matériaux au niveau atomique.*

Publications

hazar-guesmi
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Single Metal Atoms Embedded in the Surface of Pt Nanocatalysts: The Effect of Temperature and Hydrogen Pressure

Qing Wang , Beien Zhu , Frederik Tielens , Hazar Guesmi
Catalysts, 2022, 12 (12), pp.1669. ⟨10.3390/catal12121669⟩
Article dans une revue hal-03906994v1
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Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt 12 M (M = Ir, Ru or Rh) for NO Dissociation

Jelle Vekeman , Qing Wang , Xavier Deraet , Dominique Bazin , Frank de Proft
ChemPhysChem, 2022, 23 (21), pp.e202200374. ⟨10.1002/cphc.202200374⟩
Article dans une revue hal-03755144v1
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Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

Kevin Rossi , Tzonka Mineva , Jean-Sebastien Filhol , Frederik Tielens , Hazar Guesmi
Catalysts, 2022, Reactivity and Structural Dynamics of Transition-Metal Nano-Catalysts, 12 (1), pp.52. ⟨10.3390/catal12010052⟩
Article dans une revue hal-03526876v1
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Mapping surface segregation of single-atom Pt dispersed in M surfaces (M = Cu, Ag, Au, Ni, Pd, Co, Rh and Ir) under hydrogen pressure at various temperatures

Qing Wang , Beien Zhu , Frederik Tielens , Didier Tichit , Hazar Guesmi
Applied Surface Science, 2021, 548, pp.149217. ⟨10.1016/j.apsusc.2021.149217⟩
Article dans une revue hal-03173194v1
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Predicting the Activity of Nano Transition Metal DeNox Catalysts

Ismail Can Oğuz , Hazar Guesmi , Dominique Bazin , Frederik Tielens
Journal of Physical Chemistry C, 2019, 123 (33), pp.20314-20318. ⟨10.1021/acs.jpcc.9b04796⟩
Article dans une revue hal-03755145v1
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Stability of nanostructured silver-platinum alloys

Joanna Wisniewska , Hazar Guesmi , Maria Ziolek , Frederik Tielens
Journal of Alloys and Compounds, 2018, 770, pp.934-941. ⟨10.1016/j.jallcom.2018.08.208⟩
Article dans une revue hal-01864134v1
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Does the S-H Bond Always Break after Adsorption of an Alkylthiol on Au(111)?

Hazar Guesmi , Noelia B. Luque , Elizabeth Santos , Frederik Tielens
Chemistry - A European Journal, 2017, 23 (6), pp.1402-1408. ⟨10.1002/chem.201604574⟩
Article dans une revue hal-01397010v1
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Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications

Fernanda Juarez, , German Soldano, , Elizabeth Santos , Hazar Guesmi , Frederik Tielens
Computation, 2016, 4 (3), pp.26. ⟨10.3390/computation4030026⟩
Article dans une revue hal-01395929v1
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Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT study

Hazar Guesmi , Robert Grybos , Jarosław Handzlik , Frederik Tielens
RSC Advances, 2016, 6 (45), pp.39424-39432. ⟨10.1039/C6RA05395E⟩
Article dans une revue hal-01310371v1

Catalytic properties of Au electrodes modified by an underlayer of Pd

María Fernanda Juárez , Germán Soldano , Hazar Guesmi , Frederik Tielens , Elizabeth Santos
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, Surface Science and Electrochemistry - 20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩
Article dans une revue hal-01118665v1

Characterization of Molybdenum Monomeric Oxide Species Supported on Hydroxylated Silica: A DFT Study

Hazar Guesmi , Robert Gryboś , Jarosław Handzlik , Frederik Tielens
Physical Chemistry Chemical Physics, 2014, pp.18253-18260. ⟨10.1039/C4CP02296C⟩
Article dans une revue hal-01119888v1

Chromium Oxide Species Supported on Silica: A Representative Periodic DFT Model

Hazar Guesmi , Frederik Tielens
Journal of Physical Chemistry C, 2011, 116, pp.994-1001. ⟨10.1021/jp209680r⟩
Article dans une revue hal-00690824v1