Publications

22. "Prussian Blue Analogues: A Sustainable Cathode for Alkali- Metal Batteries and Beyond" Submitted 2025

21.  Archana Rajendra Kanwade, Jena Akash Kumar Satrughna, Shraddha Manohar Rajore, Pratik Pawar, Sawanta S. Mali, Jyoti V. Patil, Chang Kook Hong, Ravi C. Dutta, Parasharam Maruti Shirage "Heteroatom Doping Strategy for Enhanced Sodium-Ion Storage in Na2Fe1.5Mn1.5(PO4)3" Small , 2025,  2502979 " Article Link.

20.  Sharad Dnyanu Pinjari, Purandas Mudavath, Ravi C. Dutta*, Ispita Pal, Dipan Kundu, Saikumar Parshanaboina, Anand Kumar Singh, Ashok Kumar Nanjundan, Rohit Ranganathan Gaddam "Single-Phase Solid-Solution Reaction Facilitated Sodium-Ion Storage in Indium-Substituted Monoclinic Sodium-Iron Phosphomolybdate Cathodes" Small , 2025,  2501004 " Article Link.

19.  Sharad Dnyanu Pinjari, Ravi C. Dutta, Saikumar Parshanaboina, Purandas Mudavath, Subhajit Singha, Deepak Dubal, Xijue Wang, John Bell, Ashok Kumar Nanjundan, Rohit Ranganathan Gaddam "Multivalent Cation Substitution Boosted Sodium-Ion Storage in NASICON-Type Iron-Phospho-Sulphate Cathodes" Chemical Engineering Journal, 2024, 502, 157979 " Article Link.

18. X. Tian, S. Zhou, H. Hao, H.Ruan, R. R. Gaddam, Ravi C. Dutta, T. Zhu, H. Wang, B. Wu, N. P. Brandon, R.Tan, "Machine Learning and Density Functional Theory for catalyst and process design in hydrogen production" Chain, 2024, 1(2), 150-166 Article Link.

17. "S. D. Pinjari, Ravi C. Dutta, S. Chen, P. Mudavath, X. Huang, J. Bell, S. K. Bhatia, A K Nanjundan and R. R. Gaddam. Site-selective Mg-doping regulated charge storage in NaFe2PO4(mSO4)2 for high energy sodium-ion batteries. Chemical Engineering Journal, 2024, 493, 152485 " Article Link.

16. C. C. Zuluaga-Bedoya, Ravi C. Dutta, and S. K. Bhatia, "Influence of polymer support on gas transport in ultrathin zeolite membranes: a molecular simulation study" J. Membr. Sci 2024, 697, 122510 Article Link.

15. Gloria M.M, Ravi C. Dutta, C. C. Zuluaga-Bedoya, M. P. Adams, S. Smart, M. Konarova, and S. K. Bhatia, "Interpreting gas sorption isotherms in glassy polymers using a Bayesian framework: A view on parameter uncertainty propagation into mixture sorption predictions", J. Membr. Sci. 2024, 689, 122159 Article Link.

14. Ravi C. Dutta*, Suresh K. Bhatia, "Structure and Ion Transport in Super-Concentrated Water-in-Salt Electrolytes: Insights from Molecular Dynamics Simulations", Electrochim. Acta. 2023, 462, 142772. Article Link.

13. Suresh K. Bhatia, Ravi C. Dutta, "On the Origin of Interfacial Resistance in Ideal Nanomaterials",  J. Phys. Chem. C 2023, 127, 4, 2035–2044. Article Link

12. Q Zhao, Y Wang, S Zhu, E P Delmo, Y Cui, T Lin, Ravi C. Dutta et al., "Enhanced Electrocatalytic CO2 Conversion to CH4 via Molecular Engineering on Copper Salphen Complexes" J. Phys. Chem. C 2022, 126, 41, 17502–17509. Article Link.

11. Christian C. Zuluaga-Bedoya, Ravi C. Dutta, and Suresh K. Bhatia, "Nonuniformity of Transport Coefficients in Ultrathin Nanoscale Membranes and Nanomaterials", ACS Appl. Mater. Interfaces 2021, 13, 49, 59546–59559. Article Link.

10. L A Baptista, Ravi C. Dutta, M Sevilla, M Heidari, R Potestio, Kurt Kremer and R Cortes-Huerto, "Density-functional-theory approach to the hamiltonian adaptive resolution simulation method" J.Phys. Condens. Matter 2021, 33 (18), 184003. Article Link.

9. Ravi C. Dutta, Christian C. Zuluaga-Bedoya and Suresh K. Bhatia, "System size-dependent transport properties in materials of nanoscale dimension" J. Phys. Chem. C 2021, 125 (12), 6963- 6974. Article Link.

8. Gloria M.M, Ravi C. Dutta, Suresh K. Bhatia, "Influence of interfacial polymer rigidification on gas permeation in mixed-matrix membranes: A multiscale simulation approach"  Micrpor Mesopor Mat. 2020, 296, 109982. Article Link.

7. Ravi C. Dutta, Suresh K. Bhatia, "Interfacial engineering of MOF-based mixed matrix membrane through atomistic simulations" J. Phys. Chem. C 2020, 124(1), 594-604. Article Link.

6. Ravi C. Dutta, Suresh K. Bhatia, "Interfacial barriers to gas transport: Probing solid-gas interfaces at the atomistic level" J.Mol. Simul. 2019, 45(14-15), 1148-1162. Article Link.

5. Ravi C. Dutta, Suresh K. Bhatia, "Atomistic investigation of mixed-gas separation in a fluorinated polyimide membrane"  ACS Appl. polym. Mater. 2019, 1 (16),1359-1371. Article Link.

4. Ravi C. Dutta, Suresh K. Bhatia, "Structure and gas transport at the polymer–zeolite Interface: Insights from molecular dynamics simulations" ACS Appl. Mater. Interfaces 2018, 10(6), 5992-6005.  Article Link.

3. Ravi C. Dutta, Suresh K. Bhatia, "Interfacial barriers to gas transport in zeolites: distinguishing internal and external resistances" Phys. Chem. Chem. Phys. 2018, 20(41), 26386-26395. Article Link.

2. Ravi C. Dutta, Suresh K. Bhatia, "Transport diffusion of light gases in polyethylene using atomistic simulations" Langmuir 2017, 33(4), 936-946. Article Link

1. Ravi C. Dutta, Khan S and Singh JK, "Wetting transition of water on graphite and boron nitride surfaces: a molecular dynamics study" Fluid Ph. Equilibria 2011, 302(1-2), 310-315. Article Link