Maxime Mercy

Maxime (150*170)Dr Maxime Mercy

4CU PDRA 2013-2016

 

Maxime studied theoretical chemistry at the Paul-Sabatier University in Toulouse, France. My research interest focused on structure and reactivity of organic and organometallic compounds based on DFT studies.

Between 2013 and 2016, Maxime worked a Post-Doctoral Research Associate at the University College London, part of the professor Nora de Leeuw team working on the 4CU Programme Grant. As members of the 4CU team, Maxime performed the theoretical study of CO2 capture by ionic liquids (SP3) and was also interested in the electrocatalysis of CO2 (SP5).

Maxime’s research interest is on structure and reactivity of metallic compounds:

  • DFT-based mechanistic investigation of catalytic cycles, polymerization, functionalization, hydrogenation
  • Organometallic complexes, transition metals, lanthanide, ruthenium clusters (4 <n <55)
  • DFT, coordination, electronic optimization, localization of transition states, reaction pathway, electron configuration,

Simulation skills:

  • Qantum chemistry software : Gaussian 03 & 09, VASP
  • Molecular Visualization Software: : Chem-Draw, Molden, VMD, Jmol

Previous research experiences:

  • 2011-2012 Catalytic hydrogenation of alkenes on ruthenium clusters surfaces: theoretical investigations of the reactivity with professor R. Poteau as teaching assistant, in the theoretical group of the Laboratory of physics and chemistry of nanoobjects, INSA-Toulouse, France.
  • 2010-2011 The chemistry of polyurethanes: exploration of the catalytic mechanism in the group of Feliu Maseras in a postdoc position at the “Institut Català d’Investigació Química”, ICIQ, Tarragona, Spain
  • 2007-2010 Ph.D Coordination and reactivity of bifunctional ligands, a theoretical study With professor L. Maron in the theoretical group of the Laboratory of physics and chemistry of nano-objects, INSA-University Paul-Sabatier,in collaboration with the “laboratoire hétérochimie fondamentale et appliquée” (LHFA, Toulouse, France)
  • 2006 Hydrophosphination of butadiene catalyzed by lanthanide complexes: a theoretical study of thecatalytic cycle With professor L. Maron. Training for the Master , in the theoretical group of the Laboratory of physics and chemistry of nanoobjects, INSA-Toulouse, France.

Maxime has now left his career in academia, and has now decided to become a Full-Stack Web Developer.

4CU Publications:

“CO2 capture in wet and dry superbase ionic liquids”, S.F.R. Taylor, C. McCrellis, C. McStay, M. Mercy, R.G. Bell, N.H. de Leeuw, J. Jacquemin and C. Hardacre, Journal of Solution Chemistry – DOI: 10.1007/s10953-015-0319-z

“The Addition of CO2 to four Superbase Ionic Liquids: a DFT study”, M. Mercy, S.F.R Taylor, J. Jacquemin, C. Hardacre, R.G. Bell and N.H. De Leeuw, Physical Chemistry – Chemical Physics – DOI: 10.1039/C5CP05153C

“Mechanisms of CO2 Capture in Ionic Liquids: A Computational Perspective”, M. Mercy, N. H. de Leeuw and R. G. Bell, Faraday Discussions – DOI: 10.1039/C6FD00081A

“Active Nature of Primary Amines during Thermal Decomposition of Nickel Dithiocarbamates to Nickel Sulfide Nanoparticles”, Nathan Hollingsworth, Anna Roffey, Husn-Ubayda Islam, Maxime Mercy, Alberto Roldan, Wim Bras, Mariette Wolthers, C. Richard A. Catlow, Gopinathan Sankar, Graeme Hogart and Nora H. de Leeuw, Chemistry of Materials – DOI: 10.1021/cm503174z

“Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors”, Anna Roffey, Nathan Hollingsworth, Husn-Ubayda Islam, Maxime Mercy, Gopinathan Sankar, C. Richard A. Catlow, Graeme Hogarth and Nora H. de Leeuw, Nanoscale – DOI: 10.1039/C6NR00053C

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