Dr. Priyakumari C P
Assistant Professor, Chemical Sciences

Email cppriyakumari(AT)iisermohali.ac.in
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Research Area
Theoretical and computational chemistry
Research Focus

My primary interest is in the broad category of chemical bonding across the periodic table. At present in our group, we are trying to solve pertinent technological issues, such as the instability problems associated with lead iodide-based perovskites, which impede the commercialization of perovskite-based solar cells. Additionally, we engage in designing new materials that could serve as potential solar absorbers, offering a safer alternative to unstable and toxic lead iodide-based perovskites. Our research encompasses various topics, including catalysis using transition metal oxides, thermally activated delayed fluorescence, photoinduced phase transition, and self-healing, among others. We use all possible quantum chemistry tools as required, and we like to work with experimental groups for the subject of interest.


Selected Publications

  • Bond-Alternated and Bond-Equalized Hexazine Derivatives., Krishnapriya K. C., Ashith T, Mithu K., and Priyakumari C. P.* Phys. Chem. Chem. Phys. 2024, 26, 3569-3577.

  • Revealing Hidden Phases and Self-Healing in Antimony Trichalcogenides and Chalcoiodides. Subila K. B., Priyakumari C. P., Lothar H., Maor A., Omer Y., and Eran E. Cell Rep. Phys. Sci. 2023 4, 101298. (expt. collaboration)

  • On the Instability of Iodides of Heavy Main Group Atoms in their Higher Oxidation State. Priyakumari C. P.* and Sathya S. R. R. Perumal. Phys. Chem. Chem. Phys. 2023, 25, 6306-6315. 6

  • Lewis Acidity Trend of Boron and Aluminium Trihalides: If Not π Back-Bonding, What Else? Ashith T., and Priyakumari C. P.* ChemPhysChem, 2023, 24,1, e202200761.

  • Lewis Base/Acid Coordination Stabilizes Planar 6π Aromatic Si6/P. Priyakumari C. P.* and Sathya S. R. R. Perumal*. Organometallics, 2020, 39, 16, 2951-2955.