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2025 Journal Article Single‐Phase Solid‐Solution Reaction Facilitated Sodium‐Ion Storage in Indium‐Substituted Monoclinic Sodium‐Iron Phosphomolybdate CathodesPinjari, Sharad Dnyanu, Mudavath, Purandas, Dutta, Ravi Chandra, Pal, Ispita, Kundu, Dipan, Parshanaboina, Saikumar, Singh, Anand Kumar, Nanjundan, Ashok Kumar and Gaddam, Rohit Ranganathan (2025). Single‐Phase Solid‐Solution Reaction Facilitated Sodium‐Ion Storage in Indium‐Substituted Monoclinic Sodium‐Iron Phosphomolybdate Cathodes. Small, 21 (18) 2501004. doi: 10.1002/smll.202501004 |
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2024 Journal Article Multivalent cation substitution boosted sodium-ion storage in NASICON-type iron-phospho-sulphate cathodesPinjari, Sharad Dnyanu, Dutta, Ravi Chandra, Parshanaboina, Saikumar, Mudavath, Purandas, Singha, Subhajit, Dubal, Deepak, Wang, Xijue, Bell, John, Nanjundan, Ashok Kumar and Gaddam, Rohit Ranganathan (2024). Multivalent cation substitution boosted sodium-ion storage in NASICON-type iron-phospho-sulphate cathodes. Chemical Engineering Journal, 502 157979. doi: 10.1016/j.cej.2024.157979 |
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2024 Journal Article Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteriesPinjari, Sharad Dnyanu, Dutta, Ravi C., Chen, Shuimei, Mudavath, Purandas, Huang, Xiaodan, Bell, John, Bhatia, Suresh K., Nanjundan, Ashok Kumar and Gaddam, Rohit Ranganathan (2024). Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteries. Chemical Engineering Journal, 493 152485, 1-11. doi: 10.1016/j.cej.2024.152485 |
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2024 Journal Article Machine Learning and Density Functional Theory for Catalyst and Process Design in Hydrogen ProductionTian, Xingpeng, Zhou, Sizhe, Hao, Hongqing, Ruan, Haijun, Gaddam, Rohit R., Dutta, Ravi C., Zhu, Tao, Wang, Huizhi, Wu, Billy, Brandon, Nigel P. and Tan, Rui (2024). Machine Learning and Density Functional Theory for Catalyst and Process Design in Hydrogen Production. CHAIN, 1 (2), 150-166. doi: 10.23919/chain.2024.100004 |
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2024 Journal Article Influence of polymer support on gas transport in ultrathin zeolite membranesZuluaga-Bedoya, Christian C., Dutta, Ravi C., Monsalve-Bravo, Gloria M. and Bhatia, Suresh K. (2024). Influence of polymer support on gas transport in ultrathin zeolite membranes. Journal of Membrane Science, 697 122510, 1-17. doi: 10.1016/j.memsci.2024.122510 |
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2024 Journal Article Interpreting gas sorption isotherms in glassy polymers using a Bayesian framework: a view on parameter uncertainty propagation into mixture sorption predictionsMonsalve-Bravo, Gloria M., Dutta, Ravi C., Zuluaga-Bedoya, Christian C., Adams, Matthew P., Smart, Simon, Konarova, Muxina and Bhatia, Suresh K. (2024). Interpreting gas sorption isotherms in glassy polymers using a Bayesian framework: a view on parameter uncertainty propagation into mixture sorption predictions. Journal of Membrane Science, 689 122159, 1-19. doi: 10.1016/j.memsci.2023.122159 |
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2023 Journal Article Structure and ion transport in super-concentrated water-in-salt electrolytes: insights from molecular dynamics simulationsDutta, Ravi C. and Bhatia, Suresh K. (2023). Structure and ion transport in super-concentrated water-in-salt electrolytes: insights from molecular dynamics simulations. Electrochimica Acta, 462 142772, 1-13. doi: 10.1016/j.electacta.2023.142772 |
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2023 Journal Article On the origin of interfacial resistance in ideal nanomaterialsBhatia, Suresh K. and Dutta, Ravi C. (2023). On the origin of interfacial resistance in ideal nanomaterials. The Journal of Physical Chemistry C, 127 (4), 2035-2044. doi: 10.1021/acs.jpcc.2c07828 |
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2022 Journal Article Enhanced electrocatalytic CO2 conversion to CH4 via molecular engineering on copper salphen complexesZhao, Qinglan, Wang, Yian, Zhu, Shangqian, Delmo, Ernest P., Cui, Yingdan, Lin, Ting, Dutta, Ravi C., Li, Jiadong, Xiao, Fei, Li, Tiehuai, Wang, Yinuo, Jang, Juhee, Wei, Qiliang, Chen, Guangyu and Shao, Minhua (2022). Enhanced electrocatalytic CO2 conversion to CH4 via molecular engineering on copper salphen complexes. The Journal of Physical Chemistry C, 126 (41), 17502-17509. doi: 10.1021/acs.jpcc.2c05522 |
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2022 Journal Article Correction to “System size-dependent transport properties in materials of nanoscale dimension”Dutta, Ravi C., Zuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2022). Correction to “System size-dependent transport properties in materials of nanoscale dimension”. The Journal of Physical Chemistry Part C, 126 (7), 3796-3796. doi: 10.1021/acs.jpcc.2c00706 |
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2021 Journal Article Nonuniformity of transport coefficients in ultrathin nanoscale membranes and nanomaterialsZuluaga-Bedoya, Christian C., Dutta, Ravi C. and Bhatia, Suresh K. (2021). Nonuniformity of transport coefficients in ultrathin nanoscale membranes and nanomaterials. ACS Applied Materials and Interfaces, 13 (49), 59546-59559. doi: 10.1021/acsami.1c18659 |
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2021 Journal Article Density-functional-theory approach to the Hamiltonian adaptive resolution simulation methodBaptista, L. A., Dutta, R. C., Sevilla, M., Heidari, M., Potestio, R., Kremer, K. and Cortes-Huerto, R. (2021). Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method. Journal of Physics: Condensed Matter, 33 (18) 184003. doi: 10.1088/1361-648x/abed1d |
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2021 Journal Article System size-dependent transport properties in materials of nanoscale dimensionDutta, Ravi C., Zuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2021). System size-dependent transport properties in materials of nanoscale dimension. The Journal of Physical Chemistry C, 125 (12), 6963-6974. doi: 10.1021/acs.jpcc.1c01043 |
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2019 Other Outputs Interfacial structure of polymers near a surface: a molecular dynamics studyDutta, Ravi Chandra (2019). Interfacial structure of polymers near a surface: a molecular dynamics study. PhD Thesis, School of Chemical Engineering, The University of Queensland. doi: 10.14264/uql.2020.26 |
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2019 Journal Article Interfacial engineering of MOF-based mixed matrix membrane through atomistic simulationsDutta, Ravi C. and Bhatia, Suresh K. (2019). Interfacial engineering of MOF-based mixed matrix membrane through atomistic simulations. The Journal of Physical Chemistry C, 124 (1) acs.jpcc.9b09384, 594-604. doi: 10.1021/acs.jpcc.9b09384 |
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2019 Journal Article Multiscale simulation of gas transport in mixed-matrix membranes with interfacial polymer rigidificationMonsalve-Bravo, Gloria M., Dutta, Ravi C. and Bhatia, Suresh K. (2019). Multiscale simulation of gas transport in mixed-matrix membranes with interfacial polymer rigidification. Microporous and Mesoporous Materials, 296 109982, 109982. doi: 10.1016/j.micromeso.2019.109982 |
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2019 Journal Article Interfacial barriers to gas transport: probing solid-gas interfaces at the atomistic levelDutta, Ravi C. and Bhatia, Suresh K. (2019). Interfacial barriers to gas transport: probing solid-gas interfaces at the atomistic level. Molecular Simulation, 45 (14-15), 1-15. doi: 10.1080/08927022.2019.1635694 |
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2019 Journal Article Atomistic Investigation of Mixed-Gas Separation in a Fluorinated Polyimide MembraneDutta, Ravi C. and Bhatia, Suresh K. (2019). Atomistic Investigation of Mixed-Gas Separation in a Fluorinated Polyimide Membrane. ACS Applied Polymer Materials, 1 (6) acsapm.9b00146, 1359-1371. doi: 10.1021/acsapm.9b00146 |
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2018 Journal Article Interfacial barriers to gas transport in zeolites: distinguishing internal and external resistancesDutta, Ravi C. and Bhatia, Suresh K. (2018). Interfacial barriers to gas transport in zeolites: distinguishing internal and external resistances. Physical Chemistry Chemical Physics, 20 (41), 26386-26395. doi: 10.1039/c8cp05834b |
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2018 Journal Article Structure and Gas Transport at the Polymer-Zeolite Interface: Insights from Molecular Dynamics SimulationsDutta, Ravi C and Bhatia, Suresh K (2018). Structure and Gas Transport at the Polymer-Zeolite Interface: Insights from Molecular Dynamics Simulations. ACS Applied Materials and Interfaces, 10 (6), 5992-6005. doi: 10.1021/acsami.7b17470 |
