Punit Kumar

About

I'm working in the field of computational heterogeneous catalysis. My research work is primarily focused on the electronic structure calculations of exsolved core-shell and supported-metal catalysts within the density functional theory (DFT) framework.

Employment

Employment history is unavailable.

Education

• Indian Institute of Technology Bombay Ph.D.
  2016 - 2023

Projects & Funding

Projects & funding information is unavailable.

Publications (6)

• Corrosion inhibition of mild steel using N1, N2-bis[4-(dimethylamino)benzyl]ethane-1,2-diamine with synergistic interaction of KI
  Journal of Industrial and Engineering Chemistry 2026 DOI: 10.1016/j.jiec.2025.07.041
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• An experimental and theoretical investigation of room temperature hydrogen storage in TiVNiNb high-entropy alloy
  Materials Letters 2025 DOI: 10.1016/j.matlet.2025.138334
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• Effect of structural modulation of B2 phase on the deformation mechanism in FeNiCrCoAl high entropy alloy: an atomistic insight
  Materials Chemistry and Physics 2025 DOI: 10.1016/j.matchemphys.2025.130840
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• CO2 Activation and Dissociation on Exsolved Ni/La2O3 Catalysts: A First-Principles Study
  The Journal of Physical Chemistry C 2024 DOI: 10.1021/acs.jpcc.4c04270
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• Electronic structure and catalytic activity of exsolved Ni on Pd core-shell nanoparticles
  Physical Chemistry Chemical Physics 2022 DOI: 10.1039/d2cp04133b
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• Hydrogen adsorption studies of TiFe surfaces via 3-d transition metal substitution
  International Journal of Hydrogen Energy 2022 DOI: 10.1016/j.ijhydene.2022.03.138
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