Nanoclusters | Machine Learning | CO2 Reduction | Batteries | DNA Sequencing

★. Unlocking the Potential of Dual Ion Batteries: Identifying Polycyclic Aromatic Hydrocarbon Cathodes and Intercalating Salt Combinations through Machine Learning, Sandeep Das, Souvik Manna and Biswarup Pathak, ACS Applied Materials & Interfaces, 15, 47, 54520-54529, 2023.

★. Molecular Dynamics-Machine Learning Approaches for the Accurate Predictions of Electrochemical Windows of Ionic Liquids Electrolytes for Dual-Ion Batteries, Surya S. Manna, Souvik Manna and Biswarup Pathak, Journal of Materials Chemistry A, 11, 21702-21712, 2023.

★. Metal-Solvent Interaction Contribution on Voltage for Metal Ion Battery: An Interpretable Machine Learning Approach, Souvik Manna, Surya S. Manna, Sandeep Das and Biswarup Pathak, Electrochimica Acta, 467, 143148, 2023.

★. Lithium Nitrate as Salt Additive for Solid Electrolyte Interphase Formation in Dual-Ion Battery, Sandeep Das and Biswarup Pathak, Batteries & Supercaps, 6, 9, e202300196, 2023.

★. Suitable Salt for Solid Electrolyte Interphase Formation in Al anode Dual-Ion Battery, Sandeep Das and Biswarup Pathak, ACS Applied Energy Materials, 6, 11, 6041-6050, 2023.

★. Screening of Ionic Liquid Based Electrolytes for Al-Dual Ion Batteries: Thermodynamic Cycle and Combined MD-DFT Approaches, Surya S. Manna and Biswarup Pathak, The Journal of Physical Chemistry C, 127, 19, 8913-8924, 2023.

★. Role of Additives in Solid Electrolyte Interphase Formation in Al anode Dual-Ion Battery, Sandeep Das, Surya S. Manna and Biswarup Pathak, ACS Applied Energy Materials, 5, 11, 13398-13409, 2022.
|Front Cover Page Article

★. Recent Advancements in Devising Computational Strategies for Dual-ion Batteries, Sandeep Das, Surya S. Manna and Biswarup Pathak, ChemSusChem (Review | Invited), 2022.

★. Pyrrolidinium Based Organic Cation (BMP) Intercalated Organic (Coronene) Anode for High Voltage Dual-Ion Batteries: A Comparative Study with Graphite, Surya S. Manna and Biswarup Pathak, The Journal of Physical Chemistry C, 126, 22, 9264-9274, 2022.
|Front Cover Page Article

★. Size-Dependent Effects in Fullerene Based Catalysts for Non-aqueous Li-air Battery Applications, Nishchal Bharadwaj, Akhil S.Nair, Sandeep Das and Biswarup Pathak, ACS Applied Energy Materials, 5, 3, 3380-3391, 2022.
|Front Cover Page Article

★. Organic Cation (DMPI) Intercalated Graphite Anode for High Voltage Next Generation Dual-Ion Battery, Surya Sekhar Manna, Sandeep Das, Arunendu Das and Biswarup Pathak, Materials Advances, 2, 5213-5223, 2021.

★. Recent Trends in Electrode and Electrolyte Designing for Aluminium Battery, Sandeep Das, Surya S. Manna,Biswarup Pathak, ACS Omega (Minireview | Invited), 6, 1043-1053, 2021.|Front Cover Page Article

★. Polycyclic Aromatic Hydrocarbons as Prospective Cathodes for Aluminium Organic Batteries, Sandeep Das, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 125, 49-57, 2021.

★. BCN Monolayer for High Capacity Al based Dual-Ion Batteries, Hariom Saini, Sandeep Das, Biswarup Pathak, Materials Advances, 1, 2418-2425, 2020.

★. Identifying the Suitable Ionic Liquid Electrolytes in Al Dual-Ion Batteries: Role of Electrochemical Window, Conductivity and Voltage, Surya S. Manna, Preeti Bhauriyal, Biswarup Pathak, Materials Advances, 1, 1354-1363, 2020.

★. Theoretical Insights into the Charge and Discharge Processes in Aluminium-Sulfur Batteries, Preeti Bhauriyal, Sandeep Das, Biswarup Pathak, Journal of Physical Chemistry C, 124, 11317-11324, 2020.

★. Theoretical Insights into Solid Electrolyte Interphase (SEI) Formation in Al Anode Dual-Ion Battery, Sandeep Das, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 124, 7634-7643, 2020.

★. Computational Insights into Working Mechanism of LiPF6-Graphite Dual-Ion Battery, Sumit Kumar, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 123, 23863-23871, 2019.

★. Identification of Non-Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers, Preeti Bhauriyal, Biswarup Pathak, Chemistry An Asian Journal, 14, 2831-2837, 2019.

★. Graphene/hBN Heterostructure as High Capacity Cathode with High Voltage for Next Generation Aluminium Batteries, Preeti Bhauriyal, Gargee Bhattacharyya, Kuber Singh Rawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 7, 3959-3967, 2019.

★. High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide, K. Kravchyk, Preeti Bhauriyal, L. Piveteau, C. Guntlin, Biswarup Pathak, Maksym Kovalenko, Nature Communications, 2018.

★. First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery, Preeti Bhauriyal, Kuber S. Rawat, Gargee Bhattacharyya, Priyanka Garg, Biswarup Pathak, Chemistry - An Asian Journal; 2018.

★. Electron-Rich Graphite-Like Electrode: Stability vs. Voltage for Al Battery, Preeti Bhauriyal, Priyanka Garg, Mahendra Patel, Biswarup Pathak, Journal of Materials Chemistry A; 6, 10776-10786, 2018.

★. Graphene-Like Carbon-Nitride Monolayer: A Potential Anode Material for Na and K-Ion Batteries, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Journal of Physical Chemsitry C; 122, 5, 2481-2489, 2018.

★. A Computational Study of Single-walled Carbon Nanotube Based Ultrafast High Capacity Al Battery, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Chemistry An Asian Journal; 12, 1944-1951, 2017.

★. Hexagonal BC3 Electrode for a High Voltage Al-ion Battery, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C; 121, 9748-9756, 2017.

★. The Staging Mechanism of AlCl4 Intercalation in Graphite Electrode for Aluminium-ion Battery, Preet Bhauriyal, Arup Mahata, Biswarup Pathak, Physical Chemistry Chemical Physics;19, 7980-7989, 2017.

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