{"id":25,"date":"2023-11-04T19:17:46","date_gmt":"2023-11-04T19:17:46","guid":{"rendered":"https:\/\/www-cxcp1.tifrh.res.in\/~soumya.ghosh\/?page_id=25"},"modified":"2026-01-01T12:11:33","modified_gmt":"2026-01-01T12:11:33","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.tifrh.res.in\/~soumya.ghosh\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"

[et_pb_section fb_built=”1″ _builder_version=”4.23″ _module_preset=”default” custom_padding=”4px|||||” global_colors_info=”{}”][et_pb_row _builder_version=”4.23″ _module_preset=”default” border_width_bottom=”1px” border_color_bottom=”#e2e2e2″ global_colors_info=”{}”][et_pb_column type=”4_4″ _builder_version=”4.23″ _module_preset=”default” global_colors_info=”{}”][et_pb_post_title meta=”off” featured_image=”off” _builder_version=”4.23″ _module_preset=”default” global_colors_info=”{}”][\/et_pb_post_title][\/et_pb_column][\/et_pb_row][et_pb_row use_custom_gutter=”on” gutter_width=”2″ _builder_version=”4.23″ _module_preset=”default” global_colors_info=”{}”][et_pb_column type=”4_4″ _builder_version=”4.23″ _module_preset=”default” global_colors_info=”{}”][et_pb_text _builder_version=”4.23″ _module_preset=”default” global_colors_info=”{}”]<\/p>\n

24. De, P.; Adabala, S.; Samanta, S.; Mukhopadhyay, K.; Ghosh, S.<\/span>*; Sen Gupta S.* Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex Chem. Sci 2026, accepted<\/span>.<\/p>\n

23.Sharma, G.; Singhvi, C.; Mishra, G.; Nandi, A.; Schuck, G.; Grimm, N.; Wallacher, D.; Kumar, A.; Nukala, P.; Nath, S.; Ghosh, S.<\/span>; Polshettiwar, V.* Hot electron-driven tandem CO2 reduction and propane dehydrogenation over plasmonic black gold nanoreactors Proc. Natl. Acad. Sci. 2025, 122, e2520317122<\/span><\/p>\n

\u00a022. Manna, A. K.; Kundu, S.; Jindal, K.; Maity, D.; Panda, S.; Yadav, P.; Mishra, G.; Chatterjee, S.; Sikdar, N.; Mondal, J.; Ghosh, S.<\/span>; Narayanan, T. N.; Haldar, R.* Photo-chargeable nanopores in gas permselective membrane. Angew. Chem. Int. Ed. 2025, 64, e202513377.<\/span><\/p>\n

21. Haldar, A.; Singh, T.; Saha, A.; Ghosh, S.<\/span>*; De Sarkar, S.* Unprecedented copper\/iron co-catalyzed homocoupling of propargyl ethers to conjugated benzofurans. JACS Au, 2025, 5, 4963.<\/span><\/p>\n

20. Yadav, A.; Mishra, G.; Kundu, S.; Ghosh, S.<\/span>; Haldar, R.* Spatial functionality gradient in ZIF-8 thin film membrane. Chem. Sci. 2025, 16, 18161.<\/span><\/span><\/p>\n

19<\/span>. Park, C.*; Ghosh, S.<\/span>; \u00a0Forbert, H.; Marx D. Distinct solvation <\/span>patterns of OH\u2013 versus H3O+ charge defects at electrified gold\/water <\/span>interfaces govern their properties. Nat. Commun. 2025, accepted<\/span><\/span><\/p>\n

18. Tabassum, T.; Das, B.*; Park, C.; Ghosh, S.<\/span>; Naujoks, D.; Piontek, S. M.; Ludwig, A.; Marx, D.; Petersen, P. B.* Hydrophobic versus hydrophilic nature of the gold-water interface determined by fluctuating local water orientation. Phys. Rev. Lett. 2025, 135, 116201.<\/span>
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17. Anil, S.; Maity, D.; Adabala, S.; De, A.; Kamath, N. S.; Hammad, R.; Panda, J.; Biroju, R.; Vretenar, V.; Rajalakshmi, G.; Pal, S. K.; Ghosh, S.<\/span>; Narayanan, T. N.* Valley engineering of monolayer MoS2 via substitutional Cr and V dopants and the mechanistic insights. Nano Lett. 2025, 25, 13401.<\/span><\/p>\n

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16. Ghosh, S.<\/span>*; Park, C.; Forbert, H.; Marx D. Contribution of water molecules to the electronic dipole moment across the gold-water interface. Phys. Rev. Lett. 2025, 134, 246201.<\/span><\/p>\n

15. Hammad, R.; Pradhan, S.; Kumar, A.; Narayanan, T. N.*; Ghosh, S.<\/span>* Heterojunction impedes ion induced metallisation in 2D transition metal dichalcogenides. npj 2D Mater. Appl. 2025, 9, 27.<\/span><\/p>\n

14. De, I.; Kishore, A.; Das, S.; Mondal, S.; Yadav, S.; Sharma, P.; Pahuja, M.; Singh, S.; Nazir, A.*; Ghosh, S.<\/span>*; Ghosh, K.*; Singh, M.* Advanced neuronal modulation with semiconducting graphitic carbon nitride: Insights from in vitro, in vivo, and in silico studies. ACS Appl. Mater. Interfaces 2025, 17, 10387-10401.<\/span><\/p>\n

13. Kumar, A.*; Pradhan, S.; Pandya, S.; Hammad, R.; Ghosh, S.<\/span>; Narayanan, T.N.* Light vs. Heat: Dissecting the de-intercalation in photo-rechargeable batteries. Nano Letters 2025, 25, 628.<\/span><\/p>\n

12. Mondal, S.; Ghosh, S.<\/span>* Negative contribution from defects responsible for low Young’s modulus of graphene oxide at small defect densities. Phys. Chem. Chem. Phys. 2025, 27, 791.<\/span><\/p>\n

11. Mohandas, N.; Bawari, S.; Shibuya, J. J.; Ghosh, S.<\/span>; Mondal, J.; Narayanan, T. N.; Cuesta, A.* Understanding electrochemical interfaces through comparing experimental and computational charge density-potential curves. Chem. Sci. 2024, 15, 6643.<\/span><\/span><\/p>\n

10. Hammad, R.*; Adabala, S.; Ghosh, S.<\/span>* Choice of layering and band alignment in 2D heterostructures. J. Phys. Chem. C 2024, 128, 20635<\/span><\/p>\n

9. Maity, T.; Sarkar, S.; Kundu, S.; Panda, S.; Sarkar, A.; Hammad, R.; Mandal, K.; Ghosh, S.*<\/span>; Mondal, J.*; Haldar, R.* Steering diffusion selectivity of chemical isomers within aligned nano channels of metal-organic framework thin film. Nat. Commun. 2024, 15, 9636.<\/span><\/p>\n

8. Giri, C. ; Singh, T.; Mondal, S. ; Ghosh, S.<\/span>*; Baidya, M.* Ru(II) catalyzed Deformylative C\u2013C Activation and Carbene Insertion: Empowering Diversity-Oriented Synthesis of Unsymmetrical Biaryldiols and Heterobiaryl Amino Alcohols. ACS Catal., 2024, 14<\/span>, 15<\/span><\/a>, 11286\u201311293.<\/a><\/span>
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7<\/span>. Rani, D.; Hammad, R.; Afsan, M.; Harani, E. M.; Pahuja, M.; Urkude, R.; Rani, S.; Siddiqui, S. A.; Das, S.; Chaudhary, N.; Ghosh, R.; Riyajuddin, S. K.; Ghosh, S.*<\/span>; Ghosh, K.*, Graphene-Intercalated P4Se3@CNF Hybrid Electrode for Sustainable Energy Storage Solution: Enabling High Energy Density and Ultra-long Cyclic Stability. Carbon, 2024, 227,119225.<\/a><\/span>
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6<\/span>. <\/span>Mondal, S.; Ghosh, S.*<\/span>\u00a0Quantifying defects in graphene oxide structures. Carbon Trends 2024, 14, 100323.<\/span><\/a><\/p>\n

5<\/span>. Maity, T.; Malik, P.; Bawari, S.; Ghosh, S.<\/span>; Mondal, J.; Haldar, R.*, Chemically routed interpore molecular diffusion in metal-organic framework thin films. Nat. Commun. 2023,14, 2212.<\/a><\/span>
4<\/span>. Sahil, M.\u2217; Singh, T.; Ghosh, S.<\/span>; Mondal, J.*, 3site Multisubstrate-Bound State of Cytochrome P450cam. J. Am. Chem. Soc. 2023, 145, 23488\u201323502.<\/a>
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3<\/span>. Kumar, A.; Hammad, R.; Pahuja, M.; Arenal, R.; Ghosh, K.; Ghosh, S.*<\/span>;Narayanan, T. N.\u2217 Photo-Rechargeable Li Ion Batteries using TiS2 Cathode. Small 2023,19, 2303319.<\/a><\/span>
2<\/span>. Mondal, S.; Singh, T.; Baguli, S.; Ghosh, S.*<\/span>; Mukherjee, D.\u2217, A N-Heterocyclic Carbene-Supported Zinc Catalyst for 1,2-Regioselective Hydroboration of N-Heteroarenes. Chem.Eur. J. 2023, 29, e202300508.<\/a>
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1<\/span>. <\/span>Ali, A.; Prakash, D.; Majumder, P.; Ghosh, S.<\/span>*; Dutta, A. *. Flexible Ligand in Molecular Cu Electrocatalyst Unfurls Bidirectional O 2 \/H 2 O Conversion in Water.ACS Catal. 2021, 11 (10), 5934-5941.<\/span><\/a><\/p>\n

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Pre-TIFRH<\/b><\/p>\n

    \n
  1. Ghosh, S.*; Giannini, S.; Lively, K.; Blumberger, J. Nonadiabatic Dynamics with Quantum Nuclei: Simulating Charge Transfer with Ring Polymer Surface Hopping. Faraday Discuss. 2020, 221 (0), 501\u2013525.<\/a><\/li>\n
  2. Giannini, S.; Carof, A.; Ellis, M.; Yang, H.; Ziogos, O. G.; Ghosh, S.; Blumberger, J. Quantum Localization and Delocalization of Charge Carriers in Organic Semiconducting Crystals. Nat. Commun. 2019, 10 (1), 3843.<\/a><\/li>\n
  3. Wang, Y.-H.; Goldsmith, Z. K.; Schneider, P. E.; Anson, C. W.; Gerken, J. B.; Ghosh, S.; Hammes-Schiffer, S.; Stahl, S. S. Kinetic and Mechanistic Characterization of Low-Overpotential, H2O2-Selective Reduction of O2 Catalyzed by N2O2-Ligated Cobalt Complexes. J. Am. Chem. Soc. 2018, 140 (34), 10890\u201310899.<\/a><\/li>\n
  4. Ghosh, S.; Soudackov, A. V.; Hammes-Schiffer, S. Role of Proton Diffusion in the Nonexponential Kinetics of Proton-Coupled Electron Transfer from Photoreduced ZnO Nanocrystals. ACS Nano 2017, 11 (10), 10295\u201310302.<\/a><\/li>\n
  5. Ghosh, S.; Castillo-Lora, J.; Soudackov, A. V.; Mayer, J. M.; Hammes-Schiffer, S. Theoretical Insights into Proton-Coupled Electron Transfer from a Photoreduced ZnO Nanocrystal to an Organic Radical. Nano Lett. 2017, 17 (9), 5762\u20135767.<\/a><\/li>\n
  6. Anson, C. W.; Ghosh, S.; Hammes-Schiffer, S.; Stahl, S. S. Co(Salophen)- Catalyzed Aerobic Oxidation of p-Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis. J. Am. Chem. Soc. 2016, 138 (12), 4186\u20134193.<\/a><\/li>\n
  7. Ghosh, S.; Soudackov, A. V.; Hammes-Schiffer, S. Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies. J. Chem. Theory Comput. 2016, 12 (6), 2917\u20132925.<\/a><\/li>\n
  8. Ghosh, S.; Hammes-Schiffer, S. Calculation of Electrochemical Reorganization Energies for Redox Molecules at Self-Assembled Monolayer Modified Electrodes. J. Phys. Chem. Lett. 2015, 6 (1), 1\u20135.<\/a><\/li>\n
  9. Thompson, R.; Tran, B. L.; Ghosh, S.; Chen, C.-H.; Pink, M.; Gao, X.; Carroll, P. J.; Baik, M.-H.; Mindiola, D. J. Addition of Si\u2013H and B\u2013H Bonds and Redox Reactivity Involving Low-Coordinate Nitrido\u2013Vanadium Complexes. Inorg. Chem. 2015, 54 (6), 3068\u20133077.<\/a><\/li>\n
  10. Crandell, D. W.; Ghosh, S.; Berlinguette, C. P.; Baik, M.-H. How a [Co IV =O]2+ Fragment Oxidizes Water: Involvement of a Biradicaloid [Co II \u2013(\u22c5O\u22c5)]2+ Species in Forming the O-O Bond. ChemSusChem 2015, 8 (5), 844\u2013852.<\/a><\/li>\n
  11. Ghosh, S.; Horvath, S.; Soudackov, A. V.; Hammes-Schiffer, S. Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model. J. Chem. Theory Comput. 2014, 10 (5), 2091\u20132102.<\/a><\/li>\n
  12. Ghosh, S.; Baik, M.-H. Mechanism of Redox-Active Ligand-Assisted Nitrene- Group Transfer in a Zr IV Complex: Direct Ligand-to-Ligand Charge Transfer Preferred. Chem. \u2013 Eur. J. 2015, 21 (4), 1780\u20131789.<\/a><\/li>\n
  13. Chakraborty, S.; Reed, J.; Ross, M.; Nilges, M. J.; Petrik, I. D.; Ghosh, S.; Hammes-Schiffer, S.; Sage, J. T.; Zhang, Y.; Schulz, C. E.; Lu, Y. Spectroscopic and Computational Study of a Nonheme Iron Nitrosyl Center in a Biosynthetic Model of Nitric Oxide Reductase. Angew. Chem. Int. Ed. 2014, 53 (9), 2417\u20132421.<\/a><\/li>\n
  14. Tran, B. L.; Thompson, R.; Ghosh, S.; Gao, X.; Chen, C.-H.; Baik, M.-H.; Mindiola, D. J. A Four-Coordinate Thionitrosyl Complex of Vanadium. Chem. Commun. 2013, 49 (27), 2768\u20132770.<\/a><\/li>\n
  15. Ghosh, S.; Baik, M.-H. The Mechanism of O-O Bond Formation in Tanaka\u2019s Water Oxidation Catalyst. Angew. Chem. Int. Ed. 2012, 51 (5), 1221\u20131224.<\/a><\/li>\n
  16. Ghosh, S.; Baik, M.-H. Redox Properties of Tanaka\u2019s Water Oxidation Catalyst: Redox Noninnocent Ligands Dominate the Electronic Structure and Reactivity. Inorg. Chem. 2011, 50 (13), 5946\u20135957.<\/a><\/li>\n<\/ol>\n

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