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Romuald Poteau

9
Documents

Présentation

I am Professor of Physical and Theoretical Chemistry at the [Paul Sabatier University](http://www.univ-tlse3.fr/) of Toulouse, in the[ Laboratory of Physics and Chemistry of Nano-Objets (LPCNO)](http://lpcno.insa-toulouse.fr/?lang=en). In 1993 I received a PhD in theoretical chemistry from the same university. From 1997 to 1999 I occupied a two-year full-time research position at the CNRS, dedicated to the development of molecular pseudopotentials. In 2002, I obtained the so-called Habilitation à Diriger des Recherches, entitled “Functional chemical groups: actors or spectators?”. Among other responsibilities, I am the current head of the Physical and Chemical Modeling group of this laboratory, since 2007, member of the executive committee of the [NEXT project](http://www.next-toulouse.eu/), and head of the new NanoX Graduate School of Research in Toulouse. My research interests include Metal clusters and Nanoclusters, Coordination Chemistry and Theoretical Inorganic Chemistry, Peptidomimetic Compounds, Global Optimization Methods, Molecular Pseudopotentials, Spectroscopic Properties of Large Molecules, mainly using DFT methods. These last years, I am attempting to bridging the gap between molecular inorganic chemistry and nanochemistry.

Publications

iann-gerber
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Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks

Houssein Nasrallah , Yuanyuan Min , Emmanuel Lerayer , Tuan-Anh Nguyen , Didier Poinsot
JACS Au, 2021, 1 (2), pp.187-200. ⟨10.1021/jacsau.0c00062⟩
Article dans une revue hal-03129914v1

Catalysis to discriminate single atoms from subnanometric ruthenium particles in ultra-high loading catalysts

Camila Rivera‐cárcamo , Faqiang Leng , I.C. Gerber , Iker Del rosal , Romuald Poteau
Catalysis Science & Technology, 2020, 10 (14), pp.4673-4683. ⟨10.1039/D0CY00540A⟩
Article dans une revue hal-02904642v1
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3D Ruthenium Nanoparticle Covalent Assemblies from Polymantane Ligands for Confined Catalysis

Yuanyuan Min , Houssein Nasrallah , Didier Poinsot , Pierre Lecante , Yann Tison
Chemistry of Materials, 2020, 32 (6), pp.2365-2378. ⟨10.1021/acs.chemmater.9b04737⟩
Article dans une revue hal-02541912v1
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Mo thio and oxo-thio molecular complexes film as self-healing catalyst for photocatalytic hydrogen evolution on 2D materials

Juliana Barros Barbosa , Pierre-Louis Taberna , Valérie Bourdon , I.C. Gerber , Romuald Poteau
Applied Catalysis B: Environmental, 2020, 278, pp.119288-119301. ⟨10.1016/j.apcatb.2020.119288⟩
Article dans une revue hal-03031655v1
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Critical assessment of charge transfer estimates in non-covalent graphene doping

I.C. Gerber , Romuald Poteau
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (11), pp.156. ⟨10.1007/s00214-018-2365-2⟩
Article dans une revue hal-02131734v1
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Grafting of lanthanide complexes on silica surfaces dehydroxylated at 200 °C: a theoretical investigation

Iker Del rosal , I.C. Gerber , Romuald Poteau , Laurent Maron
New Journal of Chemistry, 2015, 39 (10), pp.7703-7715
Article dans une revue hal-01969145v1
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Surfaces of a Colloidal Iron Nanoparticle in Its Chemical Environment: A DFT Description

Guntram Fischer , Romuald Poteau , Sebastien Lachaize , I.C. Gerber
Langmuir, 2014, 30 (39), pp.11670-11680
Article dans une revue hal-01969502v1
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Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

Iker Del rosal , Maxime Mercy , I.C. Gerber , Romuald Poteau
ACS Nano, 2013, ⟨10.1021/nn403364p⟩
Article dans une revue hal-02366322v1

Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water

Jérémy Cure , Romuald Poteau , I.C. Gerber , Heinz Gornitzka , Catherine Hemmert
Organometallics, 2012, 31 (2), pp.619-626. ⟨10.1021/om2009183⟩
Article dans une revue hal-02909587v1