Publications

Atomistic Insights on Facet-Dependent Functional Properties in CdSe Nanocrystals, Kushal Samanta, Priyanka Deswal, Dibyajyoti Ghosh, Chemistry of Materials, 2024

Link: https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00370

Faculty Associated

Dibyajyoti Ghosh

A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models, Pabitra Kumar Nayak, Carlos Mora Perez, Dongyu Liu, Oleg V Prezhdo, Dibyajyoti Ghosh, Chem Mater, 2024

Link:https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00290

Faculty Associated

Dibyajyoti Ghosh

Stereoselective gem-Difunctionalization of Diazo Compounds with Vinyl Sulfoxonium Ylides and Thiols via Metalloradical Catalysis, S Bhardwaj, D K Gopalakrishnan, S Deshwal, R Sen, V Tiwari, T Karmakar, and J Vaitla, ACS Catalysis 2024

Link: https://doi.org/10.1021/acscatal.3c06098

Faculty Associated

Tarak Karmakar and Janakiram Vaitla

"Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters" Anushna Bhattacharyya, Vikas Tiwari, and Tarak Karmakar* J. Phys. Chem. Lett. 2024, 15, 3, 687–692

Link: https://doi.org/10.1021/acs.jpclett.3c03508

Faculty Associated

Tarak Karmakar

Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights, Sarika Singh, Pabitra Kumar Nayak, Sergei Tretiak, and Dibyajyoti Ghosh*, J. Phys. Chem. Lett. 2023, 14, 42, 9479–9489

Link: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c02249

Faculty Associated

Dibyajyoti Ghosh

Nondirected, Site-Selective Arylation of Quinone Imine Ketals Derived from Arylamines: One-Pot Access to meta-Substituted Anilines, Dr. Neha Taneja, Pragya, Naveen, Dr. Dulal Musib, Dr. Chinmoy Kumar Hazra, Org. Lett. 2023, 25, 6029–6034

Link:https://pubs.acs.org/doi/full/10.1021/acs.orglett.3c02181

Faculty Associated

Chinmoy Hazra

Myricetin: A Potent Anti-Amyloidogenic Polyphenol against Superoxide Dismutase 1 Aggregation, Shilpa Sharma, Vijay Raj Tomar, Shashank Deep, ACS Chem. Neurosci. 2023, 14, 2461–2475

Link: https://pubs.acs.org/doi/full/10.1021/acschemneuro.3c00276

Faculty Associated

Shashank Deep

Nano-Formulation of Antioxidants as Effective Inhibitors of γD-Crystallin Aggregation, A Dawn, V Goswami, S Sapra, S Deep, Langmuir 2023, 39, 1330-1344

Link: https://pubs.acs.org/doi/full/10.1021/acs.langmuir.2c03263

Faculty Associated

Sameer Sapra, Shashank Deep

Favoring Product Desorption by a Tailored Electronic Environment of Oxygen Vacancies in SrTiO3 via Cr Doping for Enhanced and Selective Electrocatalytic CO2 to CO Conversion, P Kalra, D Ghosh, PP Ingole, ACS Appl. Mater. Interfaces 2023, 15, 30187–30198

Link: https://pubs.acs.org/doi/full/10.1021/acsami.3c04190

Faculty Associated

D Ghosh, PP Ingole

Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters, Vikas Tiwari and Tarak Karmakar*, J. Phys. Chem. Lett. 2023

Link: https://doi.org/10.1021/acs.jpclett.3c01770

Faculty Associated

Tarak Karmakar

Cu(I)/N,N-Imine Ligand Catalyzed C(sp3)–C(sp) Coupling of Alkyl Bromides with Alkynes: Scope and Mechanistic Investigation, Swati Jain, Anmol, Ruchi Sharma, Tarak Karmakar*, and M. Ramu Yadav* Organic Letters, 2023

Link: https://doi.org/10.1021/acs.orglett.3c01735

Faculty Associated

Tarak Karmakar & M. Ramu Yadav

How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights, Manav Bhati, Sergei A Ivanov, Thomas P Senftle, Sergei Tretiak, Dibyajyoti Ghosh, Nanoscale, 2023

Link:https://pubs.rsc.org/en/content/articlehtml/2023/nr/d2nr06785d

Faculty Associated

Dibyajyoti Ghosh

Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study, Pabitra Kumar Nayak and Dibyajyoti Ghosh, J Mater. Chem C, 2023

Link: https://pubs.rsc.org/en/content/articlelanding/2023/TC/D3TC00331K

Faculty Associated

Dibyajyoti Ghosh

Charge transport in mixed metal halide perovskite semiconductors, Satyaprasad P Senanayak, Krishanu Dey, Ravichandran Shivanna, Weiwei Li, Dibyajyoti Ghosh et al. Nature Mater. 2023

Link: https://www.nature.com/articles/s41563-022-01448-2

Faculty Associated

Dibyajyoti Ghosh

Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability, Bindusagar Das , Ritu Yadav , Ankita Sharma , Tarak Karmakar and Subrata Kundu, Chem. Commun. 2023

Link: https://pubs.rsc.org/en/content/articlehtml/2023/cc/d3cc00200d

Faculty Associated

Subrata Kundu, Tarak Karmakar

Practical Access to meta-Substituted Anilines by Amination of Quinone Imine Ketals Derived from Anisidines: Efficient Synthesis of Anti-Psychotic Drugs Naveen Yadav, Neha Taneja, Dulal Musib, Prof. Chinmoy Kumar Hazr, Angewandte Chemie 2023

Link: https://doi.org/10.1002/anie.202301166

Faculty Associated

Chinmoy Hazra

Selective Methane Oxidation to Acetic Acid Using Molecular Oxygen over a Mono-Copper Hydroxyl Catalyst Neha Antil, Manav Chauhan, Naved Akhtar, Rahul Kalita, and Kuntal Manna, JACS 2023

Link: https://doi.org/10.1021/jacs.2c12042

Faculty Associated

Kuntal Manna

Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations, Tarak Karmakar, Aaron R. Finney, Matteo Salvalaglio, A. Ozgur Yazaydin, and Claudio Perego, Acc. Chem. Res. 2023

Link: https://doi.org/10.1021/acs.accounts.2c00811

Faculty Associated

Tarak Karmakar

Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters, Vikas Tiwari, Sonali Garg, and Tarak Karmakar, ACS Applied Biomaterials, 2023

Link: https://doi.org/10.1021/acsabm.2c00997

Faculty Associated

Tarak Karmakar

A Bidirectional Iterative Approach to Sequence-Defined Unsaturated Oligoesters Srashti Bhardwaj, Dinesh Kumar Gopalakrishnan, Divya Garg, Janakiram Vaitla* JACS Au., 2023

Link: https://doi.org/10.1021/jacsau.2c00641

Faculty Associated

Janakiram Vaitla

Collective Variables for Crystallization Simulations─from Early Developments to Recent Advances Neha, Vikas Tiwari, Soumya Mondal, Nisha Kumari, and Tarak Karmakar, ACS Omega, 2022

link: https://doi.org/10.1021/acsomega.2c06310

Faculty Associated

Tarak Karmakar

Ion-Mediated Protein Stabilization on Nanoscopic Surfaces Arti Sharma, Soumya Mondal, Tripti Ahuja, Tarak Karmakar, and Soumik Siddhanta, Langmuir, 2022

Link: https://doi.org/10.1021/acs.langmuir.2c03010

Faculty Associated

Tarak Karmakar, Soumik Siddanta

Understanding cyclic(alkyl)(amino)carbene-copper complex catalysed N–H and O–H bond addition to electron deficient olefins, Akshi Tyagi, Sunita Mondal, Jindal Anmol, Vikas Tiwari, Tarak Karmakar, Subrata Kundu, Chem. Comm. 2022

https://doi.org/10.1039/D2CC05613E

Faculty Associated

Tarak Karmakar, Subrata Kundu

Hydrophobicity directed chiral self-assembly and aggregation induced emission: Diacetylene-cored pseudopeptide chiral dopants Govind P. Maurya, Deepak Verma, Aloka Sinha, Luc Brunsveld, V Haridas, Angewandte Chemie International Edition, 2022

https://doi.org/10.1002/ange.202209806

Faculty Associated

V Haridas

Experimental and first-principles studies on superconductivity in noncentrosymmetric La3Se4, Moumita Naskar, Soumen Ash, Debendra Prasad Panda, Chandan Kumar Vishwakarma, Brajesh Kumar Mani, A. Sundaresan, and Ashok Kumar Ganguli Phys. Rev. B 105, 014513

https://doi.org/10.1103/PhysRevB.105.014513

Faculty Associated

Ashok K Ganguli

Mono Phosphine Metal Organic Framework Supported Cobalt Catalyst for Efficient Borylation Reactions, Rajashree Newar, Wahida Begum, Naved Akhtar, Neha Antil, Manav Chauhan, Ajay Kumar, Poorvi Gupta, Jaideep Malik, Balendra, and Kuntal Manna, 2022

https://doi.org/10.1002/ejic.202101019

Faculty Associated

Kuntal Manna

Heterogeneity and Nanostructure of Superconcentrated LiTFSI–EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of Water-in-Salt Electrolyte, Harender S. Dhattarwal and Hemant K. Kashyap, J. Phys. Chem. B 2022, 126, 28, 5291–5304

https://doi.org/10.1021/acs.jpcb.2c02822

Faculty Associated

Hemant K. Kashyap

Electrochemical Activation of the C–X Bond on Demand: Access to the Atom Economic Group Transfer Reaction Triggered by Noncovalent Interaction, Partha Pratim Sen, Vishal Jyoti Roy, and Sudipta Raha Roy, J. Org. Chem. 2022

https://doi.org/10.1021/acs.joc.2c00529

Faculty Associated

Sudipta Raha Roy

Intrinsic Lability of NiMoO4 to Excel the Oxygen Evolution Reaction, A. Rajput, M. K. Adak, B. Chakraborty, Inorg. Chem., 2022

https://doi.org/10.1021/acs.inorgchem.2c01167

Faculty Associated

Biswarup Chakraborty

Lewis Acid-Promoted Typical Friedel–Crafts Reactions Using DMSO as a Carbon Source, Nagaraju Vodnala, Sanjay Singh, and Chinmoy Kumar Hazra, J. Org. Chem, 2022

https://doi.org/10.1021/acs.joc.2c01037

Faculty Associated

Chinmoy K. Hazra

A Catalyst and Solvent Free Route for the Synthesis of N‐Substituted Pyrrolidones from Levulinic Acid, Pritam Dolui, Vikas Tiwari, Parul Saini, Tarak Karmakar, Koushik Makhal, Harshita Goel, Anil J Elias, Chem.Eur. J. 2022, e202200829

https://doi.org/10.1002/chem.202200829

Faculty Associated

Anil J Elias

Correlating the Local and Global Dynamics of an Enzyme in the Crowded Milieu, H Rastogi, PK Chowdhury, The Journal of Physical Chemistry B, 2022, 126 (17), 3208-3223

https://doi.org/10.1021/acs.jpcb.1c09759

Faculty Associated

Pramit K Chowdhury

Impact of Bifunctional Ligands on Charge Transfer Kinetics in CsPbBr3–CdSe/CdS/ZnS Nanohybrids, S Khurana, MS Hassan, P Yadav, D Ghosh, S Sapra, The Journal of Physical Chemistry Letters, 2022, 13 (11), 2591-2599

https://doi.org/10.1021/acs.jpclett.2c00067

Faculty Associated

Sameer Sapra

Visible-Light-Driven Site-selective Alkylation of Benzo Core of Coumarins, Krishna N. Tripathi, Shashank Singh, Naved Akhtar, Kuntal Manna, and Ravi P. Singh, Chem Comm. 2022

https://doi.org/10.1039/D2CC03073J

Faculty Associated

Ravi P. Singh

Address
IMS-710, 6thFloor, Main Building Department of Chemistry Indian Institute of Technology Delhi Hauz Khas, New Delhi
Email
hodchemistry[at]admin[dot]iitd[dot]ac[dot]in
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