Dr. Pankaj Kumar

University of Saskatchewan, Canada

Research Associate

Email: [email protected], [email protected]

Qualifications

2004 Ph.D., University of Delhi, Molecular Virology

Publications (selected)

1. Katiyar, A., Kumar, P., Kumar, V., et al. (2026). Kinetic Study of CeO2-Catalyzed CO2 Cycloaddition into Propylene Carbonate. Energy & Fuels. Advance online publication.
2. Anju, R. S., Kumar, P., Naikwadi, D. R., et al. (2026). Beyond metals: Tailored metal-free boron-oxy-carbide catalysts for CO2 hydrogenation. Applied Catalysis B: Environment and Energy, 384, Article 126153.
3. Anju, R. S., Kumar, P., Naikwadi, D. R., et al. (2026). Potassium‐Doped Borophane Nanosheets: A Multifunctional Platform for Reversible Hydrogen Storage and Metal‐Free Hydrogen Transfer. Small, 22(22), Article e11090.
4. Dahiya, S., Kumar, P., Srivastava, V. C., et al. (2025). Studying complex formation of zirconium in N,N dimethylformamide (DMF) [ZrO(OH)2.(DMF)] using DFT calculations to produce dimethyl carbonate via transesterification. The Canadian Journal of Chemical Engineering, 1–14. Advance online publication.
5. Kumar, P., & Srivastava, V. C. (2025). Revealing Activity of Symmetrical and Asymmetrical Ag2O‐MOx (M= Cu, Fe, Zn) Catalysts via DFT Calculations for Direct Propylene Epoxidation. Advanced Theory and Simulations, 8(3), Article 2400716.
6. Katiyar, A., Kumar, P., Srivastava, V. C., et al. (2025). Propylene carbonate synthesis routes using CO2: DFT and thermodynamic analysis. Journal of Molecular Structure, 1321, Article 139935.
7. Kumar, S., Kumar, P., Kumar, N., et al. (2025). Oxidative pyrolysis of alkali lignin using nitrogen functionalized graphene oxide-cerium oxide nanocatalysts: Mechanistic insights thorough density functional theory. Bioresource Technology, 418, Article 131985.
8. Dev, K., Singh, S., Bhardwaj, S., et al. (2024). Solvent-Selective Fluorescence Sensing of Mg2+ and Al3+ Ions by Pincer-Type NNO Schiff Base Ligand: An Experimental and DFT Optimized Approach. Chemistry (Weinheim an der Bergstrasse, Germany), Article e202403256.
9. Kumar, P., & Srivastava, V. C. (2024). Ethane and propane dehydrogenation on small platinum clusters supported on silica: an ab initio molecular dynamics and DFT study. ChemPlusChem, 89(2), Article e202300347.
10. Kumar, N., Verma, S., Kumar, P., et al. (2024). Efficient one-pot two-step electrochemical synthesis of highly oxidized graphene oxide for enhanced energy and environmental applications: Structure elucidation through DFT. Carbon, 218, Article 118722.
11. Singh, N. K., Kumar, P., Yadav, A., et al. (2024). Multi-doped borophene catalysts with engineered defects for CO2 reduction: A DFT study. Journal of Colloid and Interface Science, 654, 895–905.
12. Kumar, P., & Srivastava, V. C. (2023). Elucidation of Catalytic Propane Dehydrogenation Using Theoretical and Experimental Approaches: Advances and Outlook. Energy & Fuels, 37(23), 18369–18394.
13. Dahiya, S., Kumar, P., Srivastava, V. C., et al. (2023). Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study. Industrial & Engineering Chemistry Research, 62(18), 6920–6931.
14. Reddy, S. N., Nanda, S., Kumar, P., et al. (2019). Impacts of oxidant characteristics on the ignition of n-propanol-air hydrothermal flames in supercritical water. Combustion and Flame, 203, 46–55.

Profile Details
https://scholar.google.it/citations?user=819UBkQAAAAJ&hl=th
https://www.researchgate.net/profile/Pankaj-Kumar-125

WOS ResearcherID：JXX-4758-2024