Chimie Théorique Inorganique

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KATAN Claudine

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CNRS Researcher

Institut des Sciences Chimiques de Rennes UMR 6226
Université de Rennes 1
Campus de Beaulieu
35042 Rennes, France

Building 10B, Desk 219
Phone: +33 (0) 2.23.23.56.82
Email: claudine.katan@univ-rennes1.fr

Professional experience

  • 1993-2002: CNRS Researcher, Groupe Matière Condensée et Matériaux, UMR6626, CNRS-Université de Rennes 1, France
  • 2002-2009: Chimie et Photonique Moléculaires, UMR6510, CNRS-Université de Rennes 1, France
  • 2009-2011: Fonctions Optiques pour les TélécommunicatiONs, UMR6082, CNRS-INSA de Rennes, France
  • Since 2012: Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS-Université de Rennes 1, France

Education

  • 2011: D. Sc. in Physics (Habilitation à diriger des recherches), University of Rennes 1, France
  • 1992: PhD in Physics, University of Strasbourg (IPCMS), France
  • 1984-1989: Undergraduate Studies in Condensed Matter Physics, University of Strasbourg, France

Scientific interest

On-going research: theoretical approaches - from modelling to state-of-the-art electronic structure calculations (DFT, TD-DFT)– for linear and non linear optical responses, such as two-photon absorption, of organic chromophores and for hybrid organic/perovskites semiconductors
Past interests: topology of electron densities (InteGriTy software); projector augmented wave method (PAW); molecular charge transfer crystals; neutral-to-ionic phase transitions; density matrix approaches for modelling non linear optical properties (PhD)

Keywords

Non linear optics, NLO, Two-photon absorption, organic chromophores, hybrid organic/pervoskite, charge transfer crystals, topology of electron densities (AIM), electronic structure, quantum chemistry, computational chemistry, materials modelling, density functional theory (DFT), time-dependent density functional theory (TD-DFT)

Teaching

  • 1989-1992: Associate Lecturer in Physics at University of Strasbourg
  • 1992-1993: Lecturer in Physics at University of Rennes
  • 1993-2002: Associate lecturer in Physics at University of Rennes

Recent publications

  • Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignment
    B. Traore, L. Pedesseau, L. Assam, X. Che, J.-C. Blancon, H. Tsai, W. Nie, C. C. Stoumpos, M. G. Kanatzidis, S. Tretiak, A. D. Mohite, J. Even, M. Kepenekian, C. Katan
    ACS Nano 2018, DOI: 10.1021/acsnano.7b08202
  • Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab initio Molecular Dynamics Simulations
    L. Zhou, A. J. Neukirch, D. J. Vogel, D. S. Kilin, L. Pedesseau, M. A. Carignano, A. D. Mohite, J. Even, C. Katan, S. Tretiak
    ACS Energy Lett. 2018, 3, 787
  • Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxide
    W. Nie, H. Tsai, J.-C. Blancon, F. Liu, C. C. Stoumpos, B. Traore, M. Kepenekian, O. Durand, C. Katan, S. Tretiak, J. Crochet, P. M. Ajayan, M. G. Kanatzidis, J. Even, A. D. Mohite
    Adv. Mater. 2018, 30, 1703879
  • Dion-Jacobson Hybrid Lead Halide Perovskites: Structural, Optical and Photovoltaic Properties
    C. M. M. Soe, C. C. Stoumpos, M. Kepenekian, B. Traore, H. Tsai, W. Nie, B. Wang, C. Katan, R. Seshadri, A. D. Mohite, J. Even, T. J. Marks, M. G. Kanatzidis
    J. Am. Chem. Soc. 2017, 139, 16297
  • Extremely efficient internal exciton dissociation through edge-states in layered 2D perovskites for high-efficiency optoelectronic devices
    J.-C. Blancon, H. Tsai, W. Nie, C. C. Stoumpos, L. Pedesseau, C. Katan, M. Kepenekian, K. Appavoo, M. Y. Sfeir, S. Tretiak, M. G. Kanatzidis, J. Even, J. J. Crochet, A. D. Mohite
    Science 2017, 355, 1288
  • Decreasing the electronic confinement in layered perovskites through intercalation
    M. D. Smith, L. Pedesseau, M. Kepenekian, I. C. Smith, C. Katan, J. Even, H. I. Karunadasa
    Chem. Sci. 2017, 8, 1960

Publications referenced in HAL

View online : Complete bibliography