Journal Of Physical Chemistry Letter Impact Factor – ★. Unlocking the Potential of Dual-Ion Batteries: Identification of Polycyclic Aromatic Hydrocarbon Cathodes and Salt Compounds through Machine Learning, Sandeep Das, Souvik Manna and Biswarup Pathak.
★. Machine Learning-Assisted Screening of MXene with Superior Anchoring Effect in Al-S Batteries, Souvik Manna, Amitabha Das, Sandeep Das, and Biswarup Pathak.
Journal Of Physical Chemistry Letter Impact Factor
★. Machine learning-based prediction of band alignment types in 2D hybrid perovskites, Eti Mahal, Diptendo Roy, Surya S. Mana and Biswaroop Pathak,
Top 12 Machine Learning Journals
★. Molecular Dynamics Machine Learning Approaches for Accurate Predictions of Electrochemical Windows of Ionic Liquid Electrolytes for Dual-Ion Batteries Surya S. Manna, Souvik Manna and Biswarup Pathak,
★. Nanogap with Artificial Intelligence for Fast DNA Sequencing: A Machine Learning-Assisted Quantum Tunneling Approach Milan Kina, Diptendo Roy, Sneha Mita and Biswaroop Pathak.
★. Significance of Four Phonon Interactions in Lattice Thermal Conductivity and Thermoelectricity: A Case Study, Harpriya Minhas, Sandeep Das and Biswaroop Pathak.
★. Decoding DNA and Methylated DNA Using an MXene-Based Nanochannel Device: A Supervised Machine Learning-Assisted Exploration, Sneha Mittal, Souvik Manna, Milan K. Jena and Biswarup Pathak, ACS Materials Letters, 5, 1570-1580, 2023. ★ . Energy Level Alignments Between Organic and Inorganic Layers in Two-Dimensional Layered Perovskites: Conjugation vs. Substitution Eti Mahal, Shyama C. Mandal, Deptendo Roy and Biswaroop Pathak, Nanoscale, 15, 7962-7970, 2023. ★. Development of an AI-powered nanocavity for high-throughput DNA sequencing with a machine learning-assisted quantum tunneling approach, Milan K. Jena, and Bisaroop Pathak, Nano Letters, 23, 7, 2511-2521, 2023.
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★. Role of Flux and Metastable Isomers in ORR Activity: A Case Study, Rahul Kumar Sharma, Akhil S. Nair, Nishchal Bharadwaj, Diptendu Roy and Biswaroop Pathak, Journal of Physical Chemistry C, 127, 1, 217-223.
★. Towards Graphene Semi/Hybrid-Nanogap: A New Architecture for Ultrafast DNA Sequencing, Sneha Mittal and Biswarup Pathak, Nanoscale, 15, 757-767, 2023. ★. A Route Map of Machine Learning Approaches in Heterogeneous Reduction Reactions, Diptendu Roy, Amitabha Das, Souvik Manna and Biswarup Pathak, The Journal of Physical Chemistry C (Perspective | Invited), 127, 2, 871-881, ★2. A machine learning-assisted interpretation approach for nucleotide-based DNA sequencing using a nanopore model, Milan K. Jena, Diptendo Roy and Biswaroop Pathak, Journal of Physical Chemistry Letters, 13, 50, 11818-11830, 2022.
★. Machine Learning Prediction of Transfer Function for Protein Sequencing with Graphene Nanoslits Sne Mittal, Suvik Manna, and Bisoarup Pathak, ACS Applied Materials and Interfaces, 14, 46, 51645-51655, 2022. ★. 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.
★. Recent advances in devising computational strategies for di-ion batteries, Sandeep Das, Surya S. Manna and Biswarup Pathak, ChemSusChem (Review | Invited), 16, e2022014, 2022. ★. Developments in heterogeneous and homogeneous hydrogenation of CO2 to C2+ value-added hydrocarbons and oxygenated products, Shyama C. Mandal, Amitabha Das, Diptendu Roy, Sandeep Das, Akhil S. Nair and Biswarup Pathak, Coordination Chemist, 7,141 2022. ★. Rational design of bimetallic/trimetallic hydrogen evolution reaction catalysts using supervised machine learning, Neeraj K. Pandit, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, The Journal of Physical Chemistry Letters, 13, 32, 729-7583.
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★. Machine learning-assisted exploration of high entropy alloy-based catalysts for the selective reduction of CO2 to methanol, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, The Journal of Physical Chemistry Letters, 13, 25, 5991-6002 2022.
★. Pyrrolidinium-based cationic organic anode (BMP) for high-voltage dual-ion batteries: a comparative study with graphite, Suriya S. Manna and Biswarup Pathak, Journal of Physical Chemistry C, 126, 22, 927, 9264-2022.
★. Accounting for Dispersion Effects in DFT Framework of Electrocatalysis: A Hybrid Solvation Model Study of Oxygen Reduction, Akhil S.Nair and Biswarup Pathak, The Journal of Physical Chemistry C, 126, 14, 6128.6128,★20-6 . Size-dependent effects in fullerene-based catalysts for non-aqueous lithium-air battery applications, Nishchal Bharadwaj, Akhil S.Nair, Sandeep Das and Biswarup Pathak, ACS Applied Energy Materials, 5, 3, 3380-33222, .
★. Relativistic effects in platinum nanocluster catalysis: analysis based on statistical ensemble, Akhil S. Nair, A. Anoop, R. Ahuja, and Biswaroop Pathak, Journal of Physical Chemistry A, 126, 8, 1345-1329, ★20. Single-stranded DNA detection by tuning graphene nanogap size: an ion current approach, Rameshwar L. Kumawat and Biswarup Pathak, Journal of Physical Chemistry B, 126, 6, 1178-1187, 2022. ★. Computational Screening of First-Row Transition Metal-Based Alloy Catalysts-Selectivity of Ligand-Induced N2 Reduction Reaction Arunendu Das, Shyama C. Mandal, Akhil S. 2022 Front page article
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★. Machine learning-based screening of alloy-based catalysts for selective hydrogenation of CO2 to methanol, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, ACS Applied Materials & Interfaces, 13, 47, 56151-5602163, ★. Electronic Conduction and Current Modulation through Graphdiyne Nanopores for DNA Sequencing, Rameshwar L. Kumawat and Biswarup Pathak, ACS Applied Electronic Materials, 9, 3835-3845, 2021.
★. Non-trivial band topology and giant spin splitting Rashba, Chiranjit Mondal, Chanchal K. Berman, Aftab Alam and Biswaroop Pathak, Physical Review B, 104, 085113, 2021. ★. Atomic role in the oxygen reduction reaction activity of sub-nanometer platinum clusters: a global optimization study, Akhil S. Nair, Anakotil Anup, Rajiv Ahuja and Biswaroop Pathak, Journal of Computational Chemistry, 42, 1944-1958, 2021. ★. Current density calculations of an octahedral iron nanocluster for selective electrocatalysis for nitrogen reduction, Arunendu Das, Akhil S. Nair, Shyama Charan Mandal and Biswarup Pathak, ACS Applied Nano Materials, 4, 8, 7758-7271, 4, 8, 7758-20770 ,.
★. Detection of DNA Nucleotides via Transverse Electronic Transport in Atomically Thin Topologically Defective Graphene Electrodes, Rameshwar Kumawat, Biswarup Pathak, ACS Applied Bio Materials, 4, 2, 1403-1412, 2021.
★. Computational strategies to address the catalytic activity of nanoclusters, Akhil S. Nair, Biswarup Pathak, WIREs Computational Molecular Science, 1508, 1-19, 2021. [Impact factor: 25.11] ★. Recent Trends in Electrode and Electrolyte Design for Aluminum Batteries, Sandeep Das, Surya S. Manna, Biswarup Pathak, ACS Omega (Short Presentation | Invited), 6, 1043-1053, 2021.
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★. Theoretical insights into the formation of solid electrolyte interphase (SEI) in dual-ion Al anode battery, Sandeep Das, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 124, 7634-7643, 2020. ★. Unique Dirac and triple point fermology in simple transition metals and their binary alloys, Chiranjit Mondal, $ C. K. Barman, $ S. Sarkar, S. R. Barman, A. Alam, *Biswarup Pathak*, Physical Review B, 101, 155108, 2020. $Authors contributed equally] ★. Recent Advances in 2D Graphene-like Materials for Spintronics Applications, Indrani Choudhuri, Preeti Bhauriyal, Biswarup Pathak, Chemistry of Materials, 20, 8260-8285, 2019. ★. Density functional theory study of defect-induced ferromagnetism and semimetals in CaI2-based monolayers for spintronic applications, Gargee Bhattacharyya, Priyanka Garg, Preeti Bhauriyal, Biswarup Pathak, ACS Applied Nano Materials, 102601616.
★. Recent advances in platinum nanostructured electrocatalysts for oxygen reduction reaction, Arup Mahata, Akhil S. Nair, Biswarup Pathak, Catalysis Science and Technology (Minireview), 9, 4835-4863, 2019. ★. Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting Priyanka Garg, Akhil S Nair, Kuber Singh Rawat, Biswaroop Pathak, Journal of Physical Chemistry C, 123, 13419-120127, ★. Catalytic upgrading of ethanol to n-butanol using aliphatic Mn-PNP complex: theoretical insights into reaction mechanisms and product selectivity, Kuber S. Rawat, Shyama C. Mandal, Preeti Bhauriyal, Priyanka Garg, Biswarup Pathak, Catalysis, Science & Technology 2794-2805, 2019.|This article is part of the hot article topic series.
★. Broken symmetry based topological half-metal transition to gapped phase in SrAgAs, Chiranjit Mondal, $ C. K. Barman, $ A. Alam, Biswarup Pathak, Physical Review B, 99, 205112, 2019. [$equal authors] ★. Graphene/hBN heterostructure as high-capacity high-voltage cathode for next-generation aluminum batteries, Preeti Bhauriyal, Gargee Bhattacharyya, Kuber Singh Rawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 7, 3959-23. Computational screening for ORR activity of three-dimensional transition metal-based M@Pt core-shell clusters, Akhil S. Nair, Biswaroop Pathak, Journal of Physical Chemistry C, 123, 6, 3634-3644, 2019.| Invited Special Issue: Published as a part of the virtual special issue of “Young Scientists” Journal of Physical Chemistry.
★. Electron transport through DNA nucleotides at atomically thin phosphorene electrodes for rapid DNA sequencing, Rameshwar L. Kumawat, Priyanka Garg, Sourabh Kumar, Biswarup Pathak, ACS Applied Materials and Interfaces, 11, 219-225, 201. Ferromagnetism in single Magnesium chloride layer with an unusually large spin gap, Gargee Bhattacharyya, Indrani Choudhuri, Preeti Bhauriyal, Priyanka Garg, Biswarup Pathak, Nanoscale, 10, 22280-22292, 2018. ★. High-density dual-ion battery for stable electricity storage using concentrated potassium fluorosulfonylimide, K. Kravchyk, Preeti Bhauriyal, L. Piveteau, C. Guntlin, Biswarup Pathak, * Maksym Kovalenko, * Nature Communications, 9, 2014 ★. Electron-rich graphite-like electrode: voltage stability for Al battery, Priti Bavarial, Priyanka Garg, Mahendra Patel, Biswaroop Pathak, Journal of Materials Chemistry A. 6, 10776-10786, 2018. ★. Topologically protected hybrid states in graphene-acetene-graphene heterojunctions, Chiranjit Mondal, Swabeh Kumar, Bisoarup Pathak, Journal of Materials Chemistry C; 6, 1920-1925, [JMC Hot Paper] 2018. ★. Graphene-like carbon-nitride monolayers: potential anode material for Na and K-Ion batteries, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C. 122, 5, 2481-2489, 2018. ★. A bimetallic core-based cubic core-shell nanocluster for the formation of hydrogen peroxide (2e-reduction) over water (4e-reduction): the role of core metals, Arup.
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