Publications

18. Harender S. Dhattarwal, Rahul Somni, and Richard C. Remsing, Electronic paddle-wheels in a solid-state electrolyte. Nat Commun 2024 15 (121).

17. Harender S. Dhattarwal and Hemant K. Kashyap, Unveiling the Influence of Ionic Liquid on the Interfacial Structure and Capacitive Performance of Water-in-Salt Electrolytes at Graphite Electrodes. J. Phys. Chem. C 2024 128 (1) 536.

16. Harender S. Dhattarwal, Ang Gao, and Richard C. Remsing, Dielectric Saturation in Water from a Long Range Machine Learning Model, J. Phys. Chem. B 2023 127(16), 3663.

15. Navneet Singh, Mrityunjay K. Jha, Harender S. Dhattarwal and Hemant K. Kashyap, How NaFTA Salt Affects the Structural Landscape and Dynamics of Pyrr1,3FTA Ionic Liquid: Role of Anion Asymmetry and Salt Concentration, J. Chem. Phys. 2023 158 (10), 104502.

14. Harender S. Dhattarwal and Hemant K. Kashyap, Microstructures of Choline Amino Acid based Biocompatible Ionic Liquids, Chem. Rec. 2023 e202200295.

13. Harender S. Dhattarwal and Hemant K. Kashyap, Heterogeneity and Nanostructure of Superconcentrated LiTFSI-EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of WiSE, J. Phys. Chem. B 2022 126, 5291.

12. Harender S. Dhattarwal, Jer-Lai Kuo and Hemant K. Kashyap, Mechanistic Insight on the Stability of Ether and Fluorinated Ether Solvent-based Lithium Bis(fluoromethanesulfonyl) Electrolytes near Li Metal Surface, J. Phys. Chem. C 2022 126, 8953.

11. Akshay Malik, Harender S. Dhattarwal, and HK Kashyap, An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes, ChemPhysChem 2022 23 (18), e202200239.

10. Vikas Khatri, Harender S. Dhattarwal, Hemant K. Kashyap, and Gurmeet Singh, First-principles based Theoretical Investigation of Impact of Polyolefin Structure on Photo-oxidation Behaviour. J. Comp. Chem. 2021 42, 1710.

9. Aditya Gupta, Harender S. Dhattarwal, and Hemant K. Kashyap, Structure of Cholinium Glycinate Biocompatible Ionic Liquid at Graphite Electrode Interface. J. Chem. Phys. 2021 54, 184702.

8. Harender S. Dhattarwal and Hemant K. Kashyap, Unique and Generic Structural Features of Cholinium Amino Acid Biocompatible Ionic Liquids. Phys. Chem. Chem. Phys. 2021 23, 10662.

7. Akshay Malik, Harender S. Dhattarwal and Hemant K. Kashyap, Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations. J. Phys. Chem. B 2021 125, 1852.

6. Harender S. Dhattarwal, Richard C. Remsing, and Hemant K. Kashyap, Intercalation–deintercalation of water-in-salt electrolytes in nanoscale hydrophobic confinement. Nanoscale 2021 13, 4195.

5. Harender S. Dhattarwal, Yun-Wen Chen, Jer-Lai Kuo and Hemant K. Kashyap, Mechanistic Insight on the Formation of Solid Electrolyte Interphase (SEI) by Acetonitrile-Based Superconcentrated [Li][TFSI] Electrolyte Near Li Metal. J. Phys. Chem. C 2020 124, 27495.

4. Akshay Malik, Harender S. Dhattarwal, and Hemant K. Kashyap, Molecular Dynamics Investigation of Wetting-Dewetting Behavior of Reline DES Nanodroplet at Model Carbon Material. J. Chem. Phys. 2020 153, 164704.

3. Harender S. Dhattarwal, Richard C. Remsing and Hemant K. Kashyap, How Flexibility of Nanoscale Solvophobic Confining Material Promotes Capillary Evaporation of Ionic Liquids, J. Phys. Chem. C 2020 124, 4899.

 2. Harender S. Dhattarwal and Hemant K. Kashyap, Molecular Dynamics Investigation of Wetting-Dewetting Behavior of Model Carbon Material by 1-Butyl-3-methylimidazolium Acetate Ionic Liquid Nanodroplet, J. Chem. Phys. 2019 151, 244705.

 1. Shobha Sharma, Harender S. Dhattarwal and Hemant K. Kashyap, Molecular Dynamics Investigation of Electrostatic Properties of Pyrrolidinium Cation Based Ionic Liquids Near Electrified Carbon Electrodes, J. Mol. Liq. 2019 291, 111269.