Dr. Dhilip Kumar obtained his Master and Doctoral degrees from Indian Institute of Technology Madras (IIT-M). After completing Ph.D. in 2006, he worked as a postdoctoral research fellow at the University of Nevada, Las Vegas in the field of fundamental studies on H2 storage materials and then, from 2008 to 2010 worked at the University of Michigan, Ann Arbor on the modeling of atmospheric nitrate reactions. His doctoral work was adjudged the best thesis in Physical Chemistry for the year 2006 by IIT Madras. He joined IIT Ropar as an Assistant Professor in the Department of Chemistry in 2010. Professional Experience
Research
Group Members PhD Research Scholars
MSc Project Students (1) Dinesh Patel (2019-20) (2) Kajal Madaan (2019-20) (3) Mohd Ussama (2019-20) Post-Doctoral Fellow (1) Dr. Surinder Pal Kaur Former PhD Group Members (1) Dr. Madhu Samolia (BYU, US)
(3) Dr. Sandeep Kumar (4) Dr. Rohit Y. Sathe Former MSc Project Students (1) Apoorv Kushwaha (2017-18) (Rice University, US) (2) Chitralekha (2018-19) (3) Shriya Gumber (2018-19) (PhD, IIT Delhi, PMRF) Sponsored Projects (I) On-Going/Approved (1) Sponsor: VSSC-ISRO, Thiruvananthapuram Title: Chemical Kinetics of Molecular Collision Processes in Martian Atmosphere Duration: 2016-2020, PI (II) Completed (1) Sponsor: SERB-DST, New Delhi Title: Quantum dynamics of energy transfer processes in atom-molecular ion interaction Duration: July 2015-June 2018, PI (2) Sponsor: CSIR, New Delhi Title: A first-principles study of metal grafted Calix[n]arenes as hydrogen storage material Duration: October 2014-September 2017, PI (3) Sponsor: BRNS, BARC, Mumbai Title: Development of porous MOF for H_2 storage, Duration: 2013-2016, Co-PI (4) Sponsor: SERB-DST Fast Track, New Delhi, Title: H2 storage and fuel cell materials for renewable energy: Fundamental study on metal hybrid nanostructures, Duration: April 2011-March 2014, PI (5) Sponsor: Seed-Grant, IIT Ropar Title: Fuel Cell Materials for Renewable Energy: Theoretical Studies on Hybrid Nanomaterials Duration: October 2010-September 2013, PI Publications in IIT Ropar https://orcid.org/0000-0002-1208-4112 38. R. Y. Sathe and T. J. D. Kumar, Electronic Structure Calculations of Reversible Hydrogen Storage in Nanoporous Ti Cluster Frameworks, ACS Appl. Nano Mater., 6, 5575-5582 (2020) https://doi.org/10.1021/acsanm.0c00829 37. P. Wadhwa, T. J. D. Kumar, A. Shukla and R. Kumar, Signatures of non-trivial band topology in LaAs/LaBi heterostructure, J. Phys. Condens. Matter, 32, 395703 (2020) https://doi.org/10.1088/1361-648X/ab97e2 36. N. Yadav, B. Chakraborty and T. J. D. Kumar, First
Principles Design and Investigation of Siligraphene as a Potential Anode
Material for Na-Ion Battery, J. Phys. Chem. C 124, 11293–11300 (2020) https://doi.org/10.1021/acs.jpcc.0c00847 35. S. Chhabra and T. J. D. Kumar, Rotational De-excitations of C3H+ by Collision with He: New Ab Initio Potential Energy Surface and Scattering Calculations, MNRAS 494, 5675–5681 (2020) https://doi.org/10.1093/mnras/staa1086 34. S. Kumar and T. J. D. Kumar, Hydrogen Trapping Potential of Ca Decorated Metal-Graphyne Framework, Energy, 199, 117453 (2020) https://doi.org/10.1016/j.energy.2020.117453 33. R. Y. Sathe and T. J. D. Kumar, Reversible
Hydrogen Adsorption in Li Functionalized [1,1]paracyclophane, Int. J.
Hydrogen Energy, 45, 12940-12948 (2020) https://doi.org/10.1016/j.ijhydene.2020.03.009 32. R. Y. Sathe, H. Bae, H. Lee and T. J. D. Kumar, Hydrogen Storage Capacity of Low-lying Isomer of C24 Functionalized with Ti, Int. J. Hydrogen Energy, 45, 9936-9945 (2020) https://doi.org/10.1016/j.ijhydene.2020.02.016 31. S. Chhabra, A. Kushwaha, Rajwant Kaur and T. J. D. Kumar, Ultracold Rotational Quenching of NCCN Scattering with 3He and 4He, Chem. Phys. Lett. 738, 136819 (2020) https://doi.org/10.1016/j.cplett.2019.136819 30. R. Y. Sathe, S. Kumar and T. J. D. Kumar, An ab initio study of reversible dihydrogen adsorption in metal decorated γ-graphyne, J. Appl. Phys. 126, 174301 (2019) http://doi.org/10.1063/1.5121790 29. S. Chhabra and T. J. D. Kumar, Quantum Scattering Calculations for Rotational Excitations of C3 by Hydrogen Atom: Potential Energy Surfaces and Rate Coefficients, J. Phys. Chem. A 123, 7296-7302 (2019) https://doi.org/10.1021/acs.jpca.9b05675 28. S. Kumar, S. P. Kaur and T. J. D. Kumar, Hydrogen trapping efficiency of Li decorated metal-carbyne framework: A First Principles Study, J. Phys. Chem. C 123, 15046-15052 (2019) https://doi.org/10.1021/acs.jpcc.9b03007 27. S. Kumar and T. J. D. Kumar, Ab initio study of hydrogen storage in lithium grafted metalgraphyne framework, J. Indian Chem. Soc. 96, 793-800 (2019) Special Issue on “Theoretical and Computational Chemistry” 26. S. Kumar, R. Y. Sathe and T. J. D. Kumar, Sc and Ti-functionalized 4-tert-butylcalix[4]arene as reversible hydrogen storage material, Int. J. Hydrogen Energy, 44, 12724-12732 (2019) https://doi.org/10.1016/j.ijhydene.2019.01.169 25. R. Y. Sathe, S. Kumar and T. J. D. Kumar, BN-analogue of [2,2]paracyclophane functionalized with Sc and Ti for hydrogen storage, Int. J. Hydrogen Energy, 44, 6663-6673 (2019) https://doi.org/10.1016/j.ijhydene.2019.01.098 24. S. Kumar, R. Y. Sathe and T. J. D. Kumar, First principle study of reversible hydrogen storage in Sc grafted Calix[4]arene and Octamethylcalix[4]arene, Int. J. Hydrogen Energy, 44, 4889-4896 (2019) https://doi.org/10.1016/j.ijhydene.2018.12.188 23. B. Ugale, S. Kumar, T. J. D. Kumar and C. M. Nagaraja, Environment-friendly, cocatalyst free chemical fixation of CO2 at mild conditions using dual-walled nitrogen-rich 3D porous metal-organic frameworks (MOFs), Inorg. Chem. 58, 3925-3936 (2019) 22. S. Chhabra, A. Kushwaha and T. J. D. Kumar, Quantum dynamics study of rotational transitions of NCCN induced by He collision, J. Chem. Phys. 149, 174312 (2018); https://doi.org/10.1063/1.5058126 21. S. Chhabra and T. J. D. Kumar, Ab initio potential energy surfaces of C3 collision with proton and quantum dynamics of rotational transition, J. Phys. Chem A, 122, 5437-5444 (2018) DOI: 10.1021/acs.jpca.8b01588 20. N. Sharma, S. S. Dhankhar, S. Kumar, T. J. D. Kumar and C. M. Nagaraja, Rational design of a 3D Mn(II)‐Metal–Organic Framework based on a non-metallated porphyrin linker for selective capture of CO2 and one‐pot synthesis of styrene carbonates, Chem. Eur. J. 24, 16662–16669 (2018) DOI: 10.1002/chem.201803842 20181666 19. P. Wadhwa, S. Kumar, T. J. D. Kumar, A. Shukla and R. Kumar, Effect of edge defects on band structure of zigzag graphene nanoribbons, J. Applied Phys. 123, 161416 (2018) https://doi.org/10.1063/1.5011310 18. S. Kumar, M. Samolia and T. J. D. Kumar, Hydrogen storage in Sc and Li decorated metal-inorganic framework, ACS Appl. Energy Mater., 1, 3, 1328-1336 (2018) DOI: 10.1021/acsaem.8b00034 17. R. Y. Sathe, S. Kumar and T. J. D. Kumar, First-principles study of hydrogen storage in metal functionalized [4,4]paracyclophane, Int. J. Hydrogen Energy, 43, 5680-5689 (2018) DOI: 10.1016/j.ijhydene.2018.01.159 16. R. Y. Sathe, and T. J. D. Kumar, Paracyclophane functionalized with Sc and Li for hydrogen storage, Chem. Phys. Lett. 692, 253-257, 2018 https://doi.org/10.1016/j.cplett.2017.12.027 15. S. Kumar, R. Y. Sathe and T. J. D. Kumar, Hydrogen sorption efficiency of Titanium decorated calix[4]pyrroles, Phys. Chem. Chem. Phys., 19, 32566-32575 (2017) DOI: 10.1039/C7CP06781J 14. S. S. Dhankhar, N. Sharma, S. Kumar, T. J. D. Kumar and C. M. Nagaraja, Rational design of a bifunctional, two-fold interpenetrated Zn(II)-metal–organic framework for selective adsorption of CO2 and efficient aqueous phase sensing of 2,4,6-trinitrophenol, Chem. Eur. J., 23, 16204 –16212 (2017) DOI: 10.1002/chem.201786464 13. S. Kumar and T. J. D. Kumar, Electronic structure calculations of hydrogen storage in Lithium decorated metal-graphyne framework, ACS Appl. Mater. Interfaces, 9, 28659–28666 (2017) DOI: 10.1021/acsami.7b09893 12. S. Kumar and T. J. D. Kumar, Fundamental study of reversible hydrogen storage in Ti and Li functionalized Calix[4]arene, J. Phys. Chem. C, 121, 8703-8710 (2017) 11. Rajwant Kaur and T. J. D. Kumar, Ab initio potential energy surfaces of HCS^+: A study of the ground and the low-lying excited electronic states, Chem. Phys., 479, 36-41 (2016) 10. Rajwant Kaur and T. J. D. Kumar, Ultracold rotational deexcitation of CO (^1\Sigma^+) collision with proton, Chem. Phys. Lett., 660, 43-47 (2016) 9. Rajwant Kaur and T. J. D. Kumar, Rotational quenching of CS in ultracold ^3He collisions, Chem. Phys. Lett., 659, 304-309 (2016) 8. Rajwant Kaur and T. J. D. Kumar, Nonadiabatic couplings and charge transfer study in H + CS^+ collision using time-dependent quantum dynamics, Mol. Phys. 113, 3271-3281 (2015) 7. Deepika, T. J. D. Kumar, Alok Shukla, Rakesh Kumar, Edge configurational effect on band gaps in graphene nanoribbons, Phys. Rev. B 91, 115428 (2015) 6. M. Samolia and T. J. D. Kumar, A conceptual DFT study of the hydrogen trapping efficiency in metal functionalized BN system, RSC Adv. 4, 30758 - 30767 (2014) 5. M. Samolia and T. J. D. Kumar, Hydrogen sorption efficiency of Titanium functionalized Mg-BN-Framework, J. Phys. Chem. C 118, 10859-10866 (2014) 4. M. Samolia and T. J. D. Kumar, Fundamental studies of H_2 interaction with MAl_3 clusters [M = Li, Sc, Ti, Zr], J. Alloys Compd. 588, 144 (2014) 3. M. Samolia and T. J. D. Kumar, A first-principles study of hydrogen interaction and saturation on ScAl_3, J. Alloys Compd. 552, 457 (2013) 2. R. Kore, T. J. D. Kumar and R. Srivastava, Hydration of alkynes using Bronsted acidic ionic liquids in the absence of Nobel metal catalyst/H2SO4, J. Mol. Cat A, 360, 61-70 (2012). 1. T. J. D. Kumar and S. Kumar, Low-energy rotational inelastic collisions of H^+ + CO system, J. Chem. Phys. 136, 044317 (2012)____________________________________________________________________________________________________________________________________ |
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