Nanoclusters for Catalysis:
★. Machine Learning-Assisted Screening of Nanocluster Electrocatalysts: Mapping and Reshaping the Activity Volcano for ORR, Rahul K. Sharma, Milan K. Jena, Harpriya Minhas and Biswarup Pathak, ACS Applied Materials & Interfaces, 2024.
★. Conformal Active Learning Aided Screening of Ligand Protected Cu-Nanoclusters for CO2 Reduction Reactions, Diptendu Roy, Amitabha Das and Biswarup Pathak, Journal of Materials Chemistry A, 12, 29022-29032, 2024.
★. Investigating Metastability Triggered-Reactivity of Pt7,8 Clusters on Graphene: Unravelling Statistical Ensemble Representation for ORR in Gas and Implicit Solvent Phases, Rahul K. Sharma, Harpriya Minhas, Biswarup Pathak, The Journal of Physical Chemistry,128, 18, 7504-7517, 2024.
★. Role of Fluxionality and Metastable Isomers in the ORR Activity: A Case Study, Rahul Kumar Sharma, Akhil S. Nair, Nishchal Bharadwaj, Diptendu Roy and Biswarup Pathak, The Journal of Physical Chemistry C, 127, 1, 217-228, 2022.
★. Role of Morphology of Platinum Based Nanoclusters in ORR/OER Activity for Non-Aqueous Li-air Battery Applications, Nishchal Bharadwaj Sandeep Das, and Biswarup Pathak, ACS Applied Energy Materials, 5, 10, 12561-12570, 2022.
★. Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble Based Analysis, Akhil S. Nair, A. Anoop, R. Ahuja, and Biswarup Pathak, Journal of Physical Chemistry A, 126, 8, 1345-1359, 2022.
★. Dimensional-Dependent Effects in Platinum Core-Shell-Based Catalysts for Fuel Cell Applications, Nishchal Bharadwaj, Akhil.S. Nair and Biswarup Pathak, ACS Applied Nano Materials, 9, 9697-9708, 2021.
★. Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study, Akhil S. Nair, Anakuthil Anoop, Rajeev Ahuja and Biswarup Pathak, Journal of Computational Chemistry, 42, 1944-1958, 2021.
★. Current Density Calculations of an Octahedral Fe Nanocluster for Selective Electrocatalytic for Nitrogen Reduction, Arunendu Das, Akhil S. Nair, Shyama Charan Mandal, and Biswarup Pathak, ACS Applied Nano Materials, 4, 8, 7758-7770, 2021. |Front Cover Page Article
★. 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]
★. Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aro-maticity Driven Symmetry Breaking in Atom Precise Gold Nanocluster, M. P. Maman,$ Akhil S. Nair,$ A. Mohammad, Biswarup Pathak*, S. Mandal,* Journal of Physical Chemistry Letters, 11, 10052-10059, 2020. [$Authors contributed equally]
★. Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties, M. P. Maman,$ Akhil S. Nair,$ H. Cheraparambil, Biswarup Pathak*, S. Mandal*, Journal of Physical Chemistry Letters, 11, 1781-1788, 2020.[$Authors contributed equally]
★. Recent Advancements of Pt-nanostructure Based Electrocatalysts for Oxygen Reduction Reaction, Arup Mahata, Akhil S. Nair, Biswarup Pathak, Catalysis Science and Technology (Minireview), 9, 4835-4863, 2019.
★. Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core-Shell Clusters, Akhil S Nair, Biswarup Pathak, Journal of Physical Chemistry C, 123, 6, 3634-3644, 2019.(Invited Special Issue:
Published as part of The Journal of Physical Chemistry virtual special issue "Young Scientists")
★.
Multi-Layered Platinum Nanotube for Oxygen Reduction in a Fuel Cell Cathode: Origin of Activity and Product Selectivity, Akhil S. Nair, Arup Mahata, Biswarup Pathak, ACS Applied Energy Materials; 2018.
★.
Bimetallic Core-Based Cuboctahedral Core-Shell Nanocluster for Hydrogen Peroxide (2e- reduction) over Water (4e- reduction) Formation: Role of Core Metals, Arup Mahata, Biswarup Pathak, Nanoscale; 9, 9537-9547, 2017.
★.
Free-standing Platinum Monolayer as Efficient and Selective Catalyst for Oxygen Reduction Reaction, Arup Mahata, Priyanka Garg, Kuber Singh Rawat, Preeti Bhauriyal, Biswarup Pathak, Journal of Materials Chemistry A; 5, 5303-5313, (Impact Factor:8.26) 2017.
★.
Pt3Ti (Ti19@Pt60) Based Cuboctahedral Core-shell Nanocluster Favours Direct over Indirect Oxygen Reduction Reaction, Arup Mahata, Preeti Bhauriyal, Kuber Singh Rawat, Biswarup Pathak, ACS Energy Letters; 1, 797-805, (Impact Factor:) 2016.
★.
Cuboctahedral vs. Octahedral Platinum Nanoclusters: Insights into the Shape-dependent Catalytic Activity for Fuel Cell, Arup Mahata, Kuber Singh Rawat, Indrani Choudhuri Biswarup Pathak, Catalysis Science and Technology; 6, 7913-7923, (Impact Factor:5.426) 2016.
★.
Single-layered Platinum Nanocage: A Highly Selective and Efficient Catalyst for Fuel Cell, Arup Mahata, Kuber S. Rawat, Indrani Choudhuri, Biswarup Pathak, Journal of Materials Chemistry A; 4, 12756-12767, (Back Cover Page Article) (Impact Factor:8.26) 2016.
★.
Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2), Arup Mahata, Kuber Singh Rawat, Indrani Choudhuri, Biswarup Pathak, Scientific Reports; 6, 25590(1-13), (Impact Factor:5.22)2016.
★.
A Cuboctahedral Platinum (Pt79) Nanocluster Enclosed by Well Defined Facets Favours Di-sigma Adsorption and Improves the Reaction Kinetics for Methanol Fuel Cell. Arup Mahata, Indrani Choudhuri, Biswarup Pathak, Nanoscale; (Back Cover Page Article; Impact Factor: 7.394 ) 7, 13438-13451, 2015.
Dr. Biswarup Pathak
Professor
Department of Chemistry
biswarup[at]iiti.ac.in
