About the Research
Research Theme
Computational chemistry research on chemical recycling of polyolefins
Keyword
2D Materials and Metal Surfaces & Catalysis
Research Outline
See my CV.
Representative Research Achievements
- First-principles insights into biphenylene-based graphynes: promising novel two-dimensional carbon allotropes for thermoelectric applications.
Karthikraja, E., Nulakani, N. V. R.; Devi, P.; Murugan, P.; Kothandaraman R.; Vaidyanathan, V. G.; Subramanian, V. J. Chem. Sci. 2025 137, 29.
DOI:10.1007/s12039-025-02361-2 - Transition Metal Anchored Novel Holey Boron Nitride Analogues as Single-Atom Catalysts for the Hydrogen Evolution Reaction.
Karthikraja, E.; Chowdhury, C.; Nulakani, N. V. R.; Ramanujam, K.; Vaidyanathan, V. G.; Subramanian, V. Chem. Asian J. 2024, e202401256.
DOI:10.1002/asia.202401256 - Acetylene-Mediated Borophosphene Dirac Materials as Efficient Anode Materials for Lithium-Ion Batteries.
Karthikraja, E.; Nulakani, N. V. R.; Choutipalli, V. S. K.; Chowdhury, C.; Murugan, P.; Vaidyanathan, V. G.; Subramanian, V. ChemPhysChem 2023, 24 (11), e202300035.
DOI:10.1002/cphc.202300035 - Vacancy Defect Assisted Enhanced Nitrogen Fixation in Boron Nitride Nanomaterials.
Choutipalli, V. S. K.; Karthikraja, E.; Varathan, E.; Subramanian, V. Appl. Surf. Sci. 2022, 602, 154406.
DOI:10.1016/j.apsusc.2022.154406 - Nitrogen Fixation at the Edges of Boron Nitride Nanomaterials: Synergy of Doping.
Choutipalli, V. S. K.; Karthikraja, E.; Subramanian, V. Front. Chem. 2022, 9, 799903.
DOI:10.3389/fchem.2021.799903