Journal Publications

Total published: 32, First/Co-first author: 23, h-index: 15, i10-index: 18, Citations: 490+, Google Scholar

32. Kumawat, R. L.; Schatz, G. C., Density Functional Tight Binding Insights into Plasmonic Silver–Platinum Nanoparticles and Alloys for Enhanced Photocatalysis

ACS Appl. Nano Mater., 2025, 8, 37, 18042–18055. DOI: 10.1021/acsanm.5c03232 | Accepted

31. Kumawat, R. L.; Mueller C. M.; Schatz, G. C., Efficient Density Functional Tight-Binding Parameterization for Accurate Modeling of Platinum Clusters

Chem. Phys. Lett., 2025, 866, 141944. DOI: 10.1016/j.cplett.2025.141944

30. Kumawat, R. L.; Schatz, G. C., Efficient Modeling of Structural, Electronic, and Optical Properties of Silver and Gold Metal Nanoclusters and Alloys using Optimized SCC-DFTB Parameters

J. Phys. Chem. C, 2025, 129, 1348–1361. DOI: 10.1021/acs.jpcc.4c08100

29. Sarkar, B.; Kumawat, R. L.; Ma, P.; Wang, K.-S.; Mohebi, M.; Schatz, G. C.; Amanchukwu, C., Lithium metal-mediated electrochemical degradation of per-and poly-fluoroalkylsubstances (PFAS)

ChemRxiv., 2025, DOI: 10.26434/chemrxiv-2025-sqtq5

28. Kumawat, R. L.; Jha, S. K.; Tayo, B. O.; Sherrill, C. D., Defect-Engineered Graphene Nanoribbons for Enhanced DNA Sequencing: A Study of Structural Defects and Their Impact on Nucleobase Interaction and Quantum Transport

J. Phys. Chem. B, 2025, 129, 39, 9862–9879. DOI: 10.1021/acs.jpcb.5c03247

27. Glick, C. S.; Kumawat, R. L.; Sherrill, C. D., Evaluating Wavefunction Methods, the Counterpoise Correction, and the Frozen Core Approximation for the Optimization of van der Waals Dimers

J. Chem. Phys, 2025, 162, 174106. DOI: 10.1063/5.0268710

26. Tomar, V. K.; Kumawat, R. L.; Dias O. A. T.; Malik, R.; Schatz, G. C.; Sain, M., Synergistic Design of g-C3N4-Supported CNTs: Experimental and DFT Insights for Enhanced Electrochemical Performance in Flexible Li-S Batteries

J. Mater. Chem. A, 2024,12, 15814-15828. DOI: 10.1039/D4TA00918E

25. Kumawat, R. L.; Shukla, V.; Jena, N. K.; Ahuja, R.; Pathak, B., The Merits of a Folded Graphene Nanodevice for Reliable DNA Sequencing

ACS Appl. Electron. Mater., 2024, 6, 5986–5996. DOI: 10.1021/acsaelm.4c00937

24. Kumawat, R. L.; Jena, M. K.; Mittal, S.; Pathak, B., Advancement of Next-Generation DNA Sequencing through Ionic Blockade and Transverse Tunneling Current Methods

Small, 2024, 2401112-2401154. DOI: 10.1002/smll.202401112 | Review Paper

23. Tiwari, R. K.; Nabi, R.; Kumawat, R. L.; Pathak, B.; Rajaraman, G., Enhancing Spin-Transport Characteristics, Spin-Filtering Efficiency, and Negative Differential Resistance in Exchange-Coupled Dinuclear Co(II) Complexes for Molecular Spintronics Applications

Inorg. Chem., 2024, 63, 1, 316–328. DOI: 10.1021/acs.inorgchem.3c03200

22. Dewangan, S. K.; Nagarjuna, C.; Jain, R.; Kumawat, R. L.; Kumar, V.; Sharma, A.; Ahn, B., Review on Applications of Artificial Neural Networks to Develop High Entropy Alloys: A State-Of-The-Art Technique

Mater. Today Commun., 2023, 37, 107298. | Review Paper

21. Kumawat, R. L.; Sherrill, C. D., High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs

J. Chem. Inf. Model., 2023, 63, 10, 3150–3157.

20. Kumawat, R. L.*; Pathak, B., Conductance and Tunnelling Current   Characteristics for Individual Identification of Synthetic Nucleic Acids with a Graphene Device

Phys. Chem. Chem. Phys., 2022,24, 15756-15766.

19. Kumawat, R. L.; Pathak, B., Identifying Single-Stranded DNA by Tuning the Graphene Nanogap Size: An Ionic Current Approach

J. Phys. Chem. B, 2022, 126, 6, 1178–1187.

18. Kumawat, R. L.; Pathak, B., Strong Anisotropy and Band Gap Engineering with Mechanical Strains in Two-Dimensional Orthorhombic Diboron Dinitride (O-B2N2)

Appl. Surf. Sci., 2022, 586, 152850.

15. Kumawat, R. L.; Garg, P.; Bhattacharyya, G.; Pathak, B., Electronic Transport through DNA Nucleotides in a BC3 Nanogap for Rapid DNA Sequencing

ACS Appl. Electron. Mater., 2020, 2, 5, 1218–1225.

14. Kumawat, R. L.; Pathak, B., Individual Identification of Amino Acids on an Atomically Thin Hydrogen Boride System Using Electronic Transport Calculations

J. Phys. Chem. C, 2020, 124, 49, 27194–27202.

13. Kumawat, R. L.; Pathak, B., Functionalized Carbon Nanotube Electrodes for Controlled DNA Sequencing

Nanoscale Adv., 2020,2, 4041-4050.

12. Kumawat, R. L.; Pathak, B., Extended Topological Line Defects in Graphene for Individual Identification of DNA Nucleobases

Mater. Adv., 2020,1, 2908-2916.

11. Kumawat, R. L.; Pathak, B., Prospects of Black Phosphorus Nanoribbon for Explosive Sensing: A Computational Approach

Appl. Surf. Sci., 2020, 529, 14709.

10. Kumawat, R. L.; Garg, P.; Kumar, S.; Pathak, B., Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing

ACS Appl. Mater. Interfaces, 2019, 11, 1, 219–225.

9. Kumawat, R. L.; Pathak, B., Individual Identification of DNA Nucleobases on Atomically Thin Black Phosphorene Nanoribbons: van der Waals Corrected Density Functional Theory Calculations

J. Phys. Chem. C, 2019, 123, 36, 22377–22383.

8. Kumawat, R. L.; Pathak, B., Black Arsenic as an Optimum Gas Sensor: vdW Corrected Density Functional Theory Calculations

arXiv preprint arXiv:2003.13411, 2020.

7. Mittal, S.; Kumawat, R. L.; Jena, M. K.; Pathak, B., Graphene Nanoslit Device for Protein Sequencing: Ab Initio Quantum Transport Study

ACS Appl. Nano Mater., 2022, 5, 2, 2715–2727. [S.M. and R.L.K. are Joint 1st Authors]

6. Jena, M. K.; Kumawat, R. L.; Pathak, B., First-Principles Density Functional Theory Study on Graphene and Borophene Nanopores for Individual Identification of DNA Nucleotides

ACS Appl. Nano Mater., 2021, 4, 12, 13573–13586. [M.K.J. and R.L.K. are Joint 1st Authors]

5. Shukla, V.; Kumawat, R. L.; Jena, N. K.; Pathak, B.; Ahuja, R., Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping

ACS Appl. Electron. Mater., 2021, 3, 2, 733–742. [V.S. and R.L.K. are Joint 1st Authors]

4. Bhattacharyya, G.; Kumawat, R. L.; Pathak, B., Porphyrin Nanoribbon Based Spin Filtering Device

Phys. Chem. Chem. Phys., 2020,22, 16368-16377.

3. Kumar, S.; Kumawat, R. L.; Pathak, B., Spin-Polarized Current in Ferromagnetic Half-Metallic Transition-Metal Iodide Nanowires

J. Phys. Chem. C, 2019, 123, 25, 15717–15723.

2. Rai, R.; Ahmed, Z.; Kumar, R.; Kumawat, R. L.; et al., Environmentally Benign Metal-Free Reduction of GO Using Molecular Hydrogen: A Mechanistic Insight

ACS Omega, 2018, 3, 11, 15112–15118.

1. Kathewad, N.; Pal, S.; Kumawat, R. L.; Ali, M. E.; Khan, S., Synthetic Diversity and Luminescence Properties of ArN(PPh2)2 Based Copper(I) Complexes

Eur. J. Inorg. Chem., 2018, 2518–2523.

Submitted

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