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Dibyajyoti Ghosh


Computational Material Science

Dibyajyoti Ghosh

Office: TA-3, Bldg 1690, Room 121
Mail Stop: B258
Phone: (505) 665-6251
Fax: (505) 665-2659
home page

Research highlight
  • Charge Carrier Dynamics in Photovoltaics
  • Transport Through Nano-Junctions
  • Magnetic and Optoelectronics in Low-Dimensional Materials
 Educational Background/Employment:
  • Ph.D (2016) Material Science, CPMU/TSU, JNCASR, Bangalore, India
  • M.S. (2012) Material Science, CPMU, JNCASR, Bangalore, India
  • B.Sc. (2009) Chemistry, Dept. of Chemistry, Visva Bharati, WB, India
  • Employment:
    • 2018 - Present : Postdoctoral Research Associate, Los Alamos National Laboratory, NM, USA
    • 2016 - 2018 : Postdoctoral Research Fellow, Dept. of Physics and Chemistry, Univ. of Bath, UK

Research Interests:

  • Computational Modelling of Materials for Solar Cells : I am extensively using ab initio methods to study the charge carrier dynamics in lead halide perovskite solar cells. The effect of lattice-dynamics, point and extended defects on optoelectronic and photovoltaic properties of halide perovskites is my another topic of on-going research. I am also investigating the possible route for enhancing the phase-stability by exploring the vast chemical and configurational space of these hybrid perovskite materials.
  • Gamma and X-Ray Detectors : I am also involved in material designing for next generation Gamma and hard X-ray detectors.
  • Nano-materials for Thermoelectrics and Spintronics : Understanding heat, charge and spin transport through magnetic nano-junctions is my another research interest. These are highly important for thermoelectric, spin-caloritronics and digital data-storage applications.

Selected Recent Publications:

    Full publication list on Google Scholar
    Few selected are listed below:
  1. Mixed A-Cation Perovskites for Solar Cells: Atomic-Scale Insights Into Structural Distortion, Hydrogen Bonding and Electronic Properties, D. Ghosh, A. R. Smith, A. B. Walker and M. S. Islam, Chem. Mater 30 , 5194
  2. Phase Behaviour and Polymorphism of Formamidinium Lead Iodide, O. J. Weber, D. Ghosh, S.Gaines, P. F. Henry, A. B. Walker, M. S. Islam and M. T. Weller Chem. Mater., 2018, 30, 3768
  3. Shining Light on New Generation Two Dimensional Materials in Computational Viewpoint, A. Bandyopadhyay, D. Ghosh, S. K. Pati, J. Phys. Chem. Lett., 2018, 9, 1605, Cover Page of April, 2018
  4. Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells, D. Ghosh, P. W. Atkins, M. S. Islam, A. B. Walker and C. Eames, ACS Energy Lett., 2017, 2, 2424
  5. Stable Line Defects in Silicene, D. Ghosh, P. Parida, and S. K. Pati, Phys. Rev. B,, 2015, 92, 195136
  6. Transition Metal Embedded Two-Dimensional C3N4-graphene Nanocomposite: A Multifunctional Material, D. Ghosh, G. Periyasamy and S. K. Pati, J. Phys. Chem. C, 2014, 118, 15487
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