Metallurgical and Materials Engineering

• Vattenfalls Stipendium

Patent
• Process to Produce Alumina from Aluminium Dross Borra C. R., Jana P. , Kundu T. K., Nuka P. By - (2023)
Journal
• Dimensionality effects of g-C3N4 from wettability to solar light assisted self-cleaning and electrocatalytic oxygen evolution reaction Kuila S. K., Guchhait S. K., Pradhan D. , Kumbhakar P. , Chandra A. , Tiwary C. S., Kundu T. K. By Chemosphere 333 1-11 (2023)
• Insight into the effect of Li/P co-doping on the electronic structure and photocatalytic performance of g-C3N4 by the first principle Gorai D.K., Kuila S.K., Kumar A., Ahmad M.I., Kundu T.K. By Applied Surface Science 623 1-15 (2023)
• Energy harvesting using two-dimensional (2D) d-silicates from abundant natural minerals Mahapatra P.L., Singh A.K., Tromer R., Karthik R., Ambresha M., Costin G., Lahiri B., Kundu T.K., Ajayan P.M., Altman E.I., Galvao D.S., Tiwary C.S. By Journal of Materials Chemistry C 11 2098-2106 (2023)
• Lithium and phosphorus-functionalized graphitic carbon nitride monolayer for efficient hydrogen storage: A DFT study Gorai D. K., Kundu T. K. By Journal of Molecular Graphics and Modelling 122 1-11 (2023)
• A facile and green synthesis of Mn and P functionalized graphitic carbon nitride nanosheets for spintronics devices and enhanced photocatalytic performance under visible-light Gorai D. K., Kuila S. K., Oraon A. , Kumar A. , Suthar M. , Mitra R. , Biswas K. , Roy P. , Ahmad M. , Kundu T. K. By Journal of Colloid and Interface Science 644 397-414 (2023)
• A green process for the synthesis of porous TiO 2 from ilmenite ore using molten salt alkali decomposition for photocatalytic applications Saida S., Gorai D. K., Kundu T. K. By RSC Sustainability 1 592-598 (2023)
• Photon and vibration synergism on planar defects induced 2D-graphitic carbon nitride for ultrafast remediation of dyes and antibiotic ampicillin Kuila S. K., Kumbhakar P. , Tiwary C. S., Kundu T. K. By Journal of Materials Science - (2022)
• Piezo-phototronic effect in highly stable lead-free double perovskite Cs2SnI6-PVDF nanocomposite: Possibility for strain modulated optical sensor Mallick Z., Saini D., Sarkar R., Kundu T.K., Mandal D. By Nano Energy 100 1-11 (2022)
• Platinum-silicon doped graphitic carbon nitride: A first principle calculation Gorai D. K., Kundu T. K. By Physica B: Condensed Matter 627 413547- (2022)
• Energy Harvesting Using Cotton Fabric Embedded with 2D Hexagonal Boron Nitride Mahapatra P.L., Singh A.K., Lahiri B., Kundu T.K., Roy A.K., Kumbhakar P., Tiwary C.S. By ACS Applied Materials and Interfaces 14 30343-30351 (2022)
• NO adsorption on the Os, Ir, and Pt embedded tri-s-triazine based graphitic carbon nitride: A DFT study Gorai D.K., Kundu T.K. By Applied Surface Science 590 - (2022)
• PVDF/Ag2CO3 Nanocomposites for Efficient Dye Degradation and Flexible Piezoelectric Mechanical Energy Harvester Mishra H. K., Sengupta D. , Babu A. , Pirzada B. M., Sarkar R. , Naidu B. S., Kundu T. K., Mandal D. By Sustainable Energy & Fuels 1625-1640 (2022)
• Chemisorption of gadolinium ions on 2D-graphitic carbon nitride nanosheet for enhanced solid-state supercapacitor performance Kuila S. K., Ghorai A. , Midya A. , Tiwary C. S., Kundu T. K. By Chemical Physics Letters 796 - (2022)
• Investigation of lanthanide complexation with acetohydroxamic acid in nitrate medium: experimental and DFT studies Pati A., Bhattacharyya A. , Pujari P. K., Pal S. , Kundu T. K. By Journal of Chemical Sciences 133 1-15 (2021)
• Lanthanum ions decorated 2-dimensional g-C3N4 for ciprofloxacin photodegradation Kuila S. K., Gorai D. ., Gupta B. , Gupta A. K., Tiwary C. S., Kundu T. K. By Chemosphere 268 128780- (2021)
• First principle study of lithium and phosphorus co-doped graphitic carbon nitride as a nonlinear optical material Gorai D. K., Kundu T. K. By Materials Today Communications 26 101911- (2021)
• Density functional theory-based analyses on selective gas separation by -PVDF-supported ionic liquid membranes Sarkar R., Kundu T. K. By Journal of Molecular Graphics and Modelling 108 108004-108004 (2021)
• The role of density reduction in lithiated amorphous silicon: Molecular dynamics and ab-initio studies Dora J., Saraswat C. , Gour A. , Ghosh S. , Yedla N. , Kundu T. K. By Materials Today: Proceedings 44 3075-3078 (2021)
• A facile and green synthesis approach to derive highly stable SiOx-hard carbon based nanocomposites for use as the anode in lithium-ion batteries Kundu T. K., Adyam V. , Dora J. , Nayak D. , Yedla N. , Ghosh S. By Sustainable Energy & Fuels 4 6054-6065 (2020)
• Hydrogen bond interactions of hydrated aluminum nitrate with PVDF, PVDF TrFE, and PVDF HFP: A density functional theory based illustration Sarkar R., Kundu T. K. By International Journal of Quantum Chemistry 1-23 (2020)
• Photocatalytic dye degradation under sunlight irradiation using cerium ion adsorbed two-dimensional graphitic carbon nitride Kuila S. K., Sarkar R. , Kumbhakar P. , Kumbhakar P. , Tiwary C. S., Kundu T. K. By Journal of Environmental Chemical Engineering 8 1-11 (2020)
• First Principle Study of Na and P Co-Doped Heptazine Based Monolayer g-C3N4 Kundu T. K., Gorai D. K. By Materials Science Forum 978 367-376 (2020)
• Density functional theory based studies on the adsorption of rare-earth ions from hydrated nitrate salt solutions on g-C3N4 monolayer surface Kundu T. K., Sarkar R. , Kumari S. By Journal of Molecular Graphics and Modelling 97 1-17 (2020)
• Influence of Pt and P doping on the performance of g-C3N4 monolayer Gorai D. K., Kundu T. K. By Materials and Manufacturing Processes 35 625-634 (2020)
• Nonbonding interaction analyses on PVDF/[BMIM][BF4] complex system in gas and solution phase Sarkar R., Kundu T. K. By Journal of Molecular Modeling 25 1-27 (2019)
• Quantum chemical calculation based investigation of synergistic chelating between multiple hydroxyamide ligands and La3+ ion Pati A., Kundu T. K., Pal S. By Computational and Theoretical Chemistry 1170 1-12 (2019)
• Density functional theory studies on PVDF/ionic liquid composite systems Sarkar R., Kundu T. K. By Journal of Chemical Sciences 130 1-18 (2018)
• Density Functional Theory Study of Structural and Electronic Properties of '-Ni3Al and "-Ni3Nb Gorai D. K., Kundu T. K. By IOP Conference Series: Materials Science and Engineering 338 1-6 (2018)
• DFT Studies on Interaction between Lanthanum and Hydroxyamide Pati A., Kundu T. K. By IOP Conference Series: Materials Science and Engineering 338 1-6 (2018)
• Adsorption Studies of Gadolinium ion on Graphitic Carbon Nitride Kuila S. K., Kundu T. K. By IOP Conference Series: Materials Science and Engineering 338 1-6 (2018)
• Strain-Controlled Transport Mechanism in Strongly Correlated LaNiO3 Kundu T. K., Misra D. By Journal of Electronic Materials 46 150-157 (2017)
• A DFT+U study of the catalytic activity of lanthanum nickelate Misra D., Kundu T. K. By The European Physical Journal B 90 1-8 (2017)
• Transport properties and metal insulator transition in oxygen deficient LaNiO3: a density functional theory study Misra D., Kundu T. K. By Materials Research Express 3 095701- (2016)
• A First-principle Study of The Optical Properties of Pure and Doped LaNiO3 Tarun Kumar Kundu, Debolina Misra By Advanced Materials Letters 7(5) 344-348 (2016)
• Cellular Automata Modeling of Decarburization of Metal Droplets in Basic Oxygen Steelmaking Ankit, T. K. Kundu By IOP Conf. Series: Materials Science and Engineering 115(1) - (2016)
• Effect of strain on the optical properties of LaNiO3: A first-principle study D. Misra, T. K. Kundu By Computational Materials Science 112 (A) 113-119 (2016)
• Oxygen vacancy induced metal-insulator transition in LaNiO3 Debolina Misra, Tarun Kumar Kundu By The European Physical Journal B 89: 4 - (2016)
• Design of Methane Hydrate Inhibitor Molecule Using Density Functional Theory S. Pal , T. K. Kundu By Journal of Cluster Science 26 :551-563 (2015)
• Development of High Capacity Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 Cathode Material for Sodium Ion Batteries Chandra Kant Kaithwas, T. K. Kundu By IOP Conf. Series: Materials Science and Engineering 75 - (2015)
• Modeling of Dephosphorization using Bloated Droplet Theory in Basic Oxygen Steelmaking Ankit, T. K. Kundu By IOP Conf. Series: Materials Science and Engineering 75 - (2015)
• Theoretical study of methanol as inhibitor and cyclopentane as stabilizer of dodecahedron methane hydrate cage S. Pal, T. K. Kundu By IOP Conference Series Materials Science and Engineering 73 - (2015)
• The Effect of Methanol on 5_12 Methane Hydrate Cage Cluster - A Molecular Dynamics Study S. Pal, T. K. Kundu By Journal of Petroleum Engineering & Technology 4(2) - (2014)
• Natural Bond Orbital Analysis, Bond order and Frequency Calculation based study of hydrogen bond formation in different glycols and water complex Snehanshu Pal and T. K. Kundu By Journal of Modern Chemistry and Chemical Technology 4(1) 1-20 (2013)
• Stability analysis and Frontier Orbital Study of Different Glycol and Water Complex Snehanshu Pal and T. K. Kundu By ISRN Physical chemistry ID 753139 1-16 (2013)
• DFT-based inhibitor and promoter selection criteria for pentagonal dodecahedron methane hydrate cage SNEHANSHU PAL, T K KUNDU By Journal of Chemical Sciences 125(5) 1259-1266 (2013)
• Hot metal temperature variation during blast furnace tapping Hemant Upadhyay and T. K. Kundu By Jindal Tech, 2 67-72 (2013)
• Drain Rate and Liquid Level Simulation in Blast Furnace Hearth Using Plant Data Hemant Upadhyay and T. K. Kundu By ISRN Metallurgy Article ID 960210 - (2013)
• Pentagonal dodecahedron methane hydrate cage and methanol system - an Ab initio study Snehanshu Pal and T. K. Kundu By Journal of Chemical Sciences 125(2) - (2013)
• Theoretical study of hydrogen bond formation in chitosan and pentagonal dodecahedron methane hydrate cage structure Snehanshu Pal and T. K. Kundu By Chemical Science Transaction, 2 (2) 447-454 (2013)
• CFD analysis to estimate refractory errosion/scab formation on blast furnace hearth wall Hemant Upadhyay and T. K. Kundu By Jindal Tech 2 22-28 (2013)
• Dodecahedron Methane Hydrate Cage Structure - An Ab initio Study Snehanshu Pal and T. K. Kundu By Journal of Petroleum Engineering and Technology 2(1) 22-35 (2012)
• Methane encapsulation in 51264 clathrate cage - a theoretical study Snehanshu Pal and T. K. Kundu By Journal of Petroleum Engineering and Technology 2(3) 1-8 (2012)
• Theoretical Prediction of Maximum Number of Methane Molecule Accommodation in Unit Cages of S-I Clathrate Structure Snehanshu Pal and T. K. Kundu By Journal of Petroleum Engineering and Technology 2(2) 40-46 (2012)
• Theoretical study of hydrogen bond formation in trimethylene glycol-water complex Snehanshu Pal and T. K. Kundu By ISRN Physical chemistry ID 570394 1-12 (2012)
• Atomistic simulation studies of magnetite surface structures and adsorption behavior in the presence of molecular and dissociated water and formic acid Kundu, T. K., Rao, K. H. and Parker, S. C By Journal of Colloid and Interface Science 295(2) - (2006)
• Competitive adsorption on wollastonite: an atomistic simulation approach Kundu, T. K., Rao, K. H. and Parker, S. C By Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysica 109 (22) - (2005)
• Atomistic simulation of the surface structure of wollastonite Kundu, T. K, Rao, K. H. and Parker, S.C By Chemical Physics Letters 377(1-2) - (2003)
• Atomistic simulation of the surface structure of wollastonite and adsorption phenomena relevant to flotation Kundu, T. K, Rao, K. H. and Parker, S.C By International Journal of Mineral Processing 72(1-4) - (2003)
Conferences
• Development and application of mathematical models to simulate liquid phase accumulation, drainage and heat transfer in blast furnace hearth Upadhyay H., Kundu T.K. By Proceedings for the 8th International Conference on Modeling and Simulation of Metallurgical Processes in Steelmaking, STEELSIM 2019 88-98 (2019)
Others
• Correction to: Density functional theory studies on PVDF/ionic liquid composite systems (Journal of Chemical Sciences, (2018), 130, 8, (115), 10.1007/s12039-018-1522-4) Sarkar R., Kundu T.K. By Journal of Chemical Sciences 130 - (2018)
• Effect of Strain on the Physical Properties of Lanthanum Nickelate D. Misra, T. K. Kundu and Ankit By TMS 2016: 145 Annual Meeting & Exhibition: Supplemental Proceedings, John Wiley & Sons, Inc., Hoboken, NJ, USA. - (2016)
• Atomistic simulation on the adsorption of water, methanoic acid and methylamine on pure and hydroxylated quartz K. Hanumantha Rao, Tarun kumar Kundu, Eric Forssberg By Proceedings of the XXIII International Mineral Processing Congress : Istanbul, Turkey 1729-1735 (2006)
• Molecular modelling of mineral surface structures and adsorption phenomena in flotation Rao, K. H. , Kundu, T. K., Parker, S. C. and Forssberg, E. By Centenary of Flotation Symposium Proceedings - (2005)
• Atomistic simulation studies of surface structure of hematite and magnetite crystals and adsorption behaviour of water Kundu, T. K, Rao, K. H. and Parker, S.C By International Seminar on Mineral Processing Technology 190-197 (2003)
• Atomistic simulation techniques for designing mineral specific collector molecules in froth flotation Kundu, T. K, Rao, K. H., Parker, S.C. and Forssberg, E.. By International Seminar on Mineral Processing Technology 272-287 (2002)
• Atomistic simulation techniques for modelling mineral surface reactions Kundu, T. K., Rao, K. H. & Parker, S. C By Proceedings: Advances in the understanding of adsorption phenomena at solid/aqueous solution interface 67-72 (2001)
Book Chapter/Section
• CFD Modeling and Simulation in Materials Processing T. K. Kundu, S. Pal By CFD Modeling of Fluid Flow Behavior and Bath Surface Deformation in LD Converter 319-326 (2012)
• Molecular Modeling for the Design of Novel Performance Chemicals and Materials K Hanumantha Rao, T. K. Kundu and S. C. Parker By Molecular Modeling of Mineral Surface Reactions in Flotation 65-105 (2012)

Principal Investigator

• SOLVENT EXTRACTION STUDIES FOR HIGH VALUE METALS BY IONIC LIQUIDS IN MIXER-SETTLER-UNIT: EXPERIMENTATION & MOLECULAR MODELING
• Chemical composition and Mechanical property evaluation for SVEC Construction Ltd.
• ATOMISTIC SIMULATIONS OF GAS HYDRATES AND STABILIZER/INHIBITOR DESIGN. (SUB-PROJECT MRDM5)
• Chemical analysis(% Al, %Al2O3) of dross, tailing and recovered metal
• Chemical Analysis of Steel Samples
• Chemical Analysis of TMT Steel Bar
• Chemical Analysis of Flyash
• Development of pilot scale palletisation technology for Indian geothitic/hematite ore with varying degree of fineness
• Development of pilot scale palletisation technology for Indian geothitic/hematite ore with varying degree of fineness
• Chemical Analysis of Alloy & Ceramics

Co-Principal Investigator

• A BRIDGE PROJECT AIMED AT THE EXPANSION OF LITHIUM LON BATTERY RESEARCH
• LITHIUM ION BATTERY EQUIPMENT USAGE