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Presentation

L’IRSAMC (The Institute of Research on Complex Atomic and Molecular Systems) is a federation of four laboratories (LCAR, LCPQ, LPCNO, LPT), in physics and fundamental chemistry whose research activities are supported both by the Université Paul Sabatier, the CNRS and INSA

Publications of 4 research laboratories

  • Hal-LCAR. - Laboratory Collisions Clusters Reactivity, from 1990 until todays
  • Hal-LCPQ. - Quantum Chemistry and Physics Laboratory, from 2007 until todays
  • Hal-LPCNO. - Physics and Chemistry of Nano Objects Laboratory, from 2006 until todays
  • Hal-LPT.- Theoretical Physics Laboratory, from 2003 until todays

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[hal-02881940] Fragmentation dynamics of Ar4He1000 upon electron impact ionization: competition between ion ejection and trapping  (09/07/2020)   Moins
The fragmentation upon electron impact ionization of Ar4He1000 is investigated by means of mixed quantum-classical dynamics simulations. The Ar4+ dopant dynamics is described by a surface hopping method coupled with a diatomics-in-molecules model to properly take into account the multiple Ar4+ electronic surfaces and possible transitions between them. Helium atoms are treated individually using the zero-point averaged dynamics (ZPAD), a method based on the building of an effective He-He potential. Fast electronic relaxation is observed, from less than 2 ps to ∼ 30 ps depending on initial conditions. The main fragments observed are Ar2+Heq and Ar3+Heq (q ≤ 1000), with a strong contribution of the bare Ar2+ ion, and neither Ar+ nor Ar+Heq fragments are found. The smaller fragments (q ≤ 50) are found to mostly come from ion ejection whereas larger fragments (q > 500) originate from long-term ion trapping. Although the structure of the trapped Ar2+ ions is the same as in the gas phase, trapped Ar3+ and Ar4+ are rather slightly bound Ar2+ · · · Ar and Ar2+ · · · Ar · · · Ar structures (i.e., an Ar2+ core with one or two argon atoms roaming within the droplet). These loose structures can undergo geminate recombination and release Ar3+Heq or Ar4+Heq (q ≤ 50) in the gas phase and/or induce strong helium droplet evaporation. Finally, the translational energy of the fragment center of mass was found suitable to provide a clear signature of the broad variety of processes at play in our simulations.

[hal-02882916] Ultra-Stable Magnetic Nanoparticles Encapsulated in Carbon for Magnetically Induced Catalysis  (04/07/2020)   Plus
[hal-02570895] Spin crossover in Fe(triazole)–Pt nanoparticle self-assembly structured at the sub-5 nm scale  (03/07/2020)   Plus
[tel-02880011] Etude multi-échelle de l'activation de réactions catalytiques par chauffage magnétique pour le stockage des énergies renouvelables  (25/06/2020)   Plus
[tel-02879948] Study of the optoelectronic properties of atomically thin WSe2  (25/06/2020)   Plus

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