Dr. Krishankanta Mondal

Contact Info
Dr. Krishankanta Mondal
DST-INSPIRE Faculty, Department of Phsyics, Central University of Punjab, Bhatinda-151401
Dr. Krishankanta Mondal

Assistant Professor
Department of Physics
School of Basic and Applied Sciences

Qualification

 

 

Experience
Teaching Experience
2019 - Present

DST-INSPIRE Faculty

Department of Physics

Central University of Punjab

Research Experience
  • 2017 - 2019

Research Associate

Physics

Indian Institute of Science Education and Research, Pune

  • 2017 - 2017

Post-Doctoral Fellow

Fraunhofer IWM, Germany (Fraunhofer Institutes)

  • 2016 - 2017

Post-Doctoral Fellow

Albert-Ludwigs-Universität Freiburg, Germany

Administrative Experience
  • 2019

Board of Studies Department of Physics CUPB

Co-opted member

Research Area

 

 

Research Interests

  • Density Functional Theory

  • Computational Materials Science

  • Energy Materials

  • CO2 Capture and Hydrogenation

  • Machine Learning for Materials Science

  • Development of Numerical Codes for Scientific Purposes

Research Grants/Projects

Effect of Nitrogen on Industrially Important ZnO/Cu Catalyst: Structure, Interface and Activity for Methanol Production from CO2+H2. Grant: Rs. 35 lakh for 5 years (2019)--Ongoing

Professional Recognition/Awards/Scholarships

DST-INSPIRE Faculty Award (2019)

 

Research Collaboration

  1. Prof. Alessandro Fortunelli, CNR-ICCOM, via G. Moruzzi, 1 56124, Pisa, Italy

  2. Prof. Arup Banerjee, RRCAT, Indore, India

  3. Prof. T. K. Ghanty, BARC, Mumbai, India

  4. Dr. Shyamal Mondal, SRM-IST, Chennai

  5. Dr. Harischandra Singh, Oulu University, Finland

Publications
Articles

  1. K. Mondal, T.K. Ghanty, A. Banerjee, A. Chakrabarti and C. Kamal, “Density functional investigation on the structures and properties of Li atom doped Au20 cluster”Mol. Phys., 111, 725-734 (2013).

  1. A. Chakrabarti1, M. Siewert, T. Roy, K. Mondal, A. Banerjee, M. E. Gruner and P. Entel“Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni2MnGa and Mn2NiGa”Phys. Rev. B, 88, 174116-1-174116-11 (2013).

  1. K. Mondal, D. Manna, T.K. Ghantyand A. Banerjee “Significant modulation of CO adsorption on bimetallic Au19Li cluster”Chem. Phys., 428, 75-81 (2014).

  1. K. Mondal, A. Banerjee and T.K. Ghanty“Structural and chemical properties of sub-nanometer sized bimetallic Au19Pt cluster”J. Phys. Chem. C, 118, 11935-11945 (2014).

  1. K. Mondal, C. Kamal, A. Banerjee, A. Chakrabarti and T.K. Ghanty, “Silicene: A promising surface to achieve morphological transformation in gold clusters”. J. Phys. Chem. C, 119, 3192-3198(2015).

  1. K. Mondal,A. Banerjee, A. Fortunelli and T.K. Ghanty, “Does enhanced oxygen activation always facilitate CO oxidation on gold clusters?”J. Comput. Chem., 36, 2177–2187 (2015).

  1. K. Mondal, S. Agrawal, D. Manna, A. Banerjee and T.K. Ghanty, “Effect of H-atom doping on the structure and electronic properties of 20-atom gold cluster”. J. Phys. Chem. C, 120, 18588–18594 (2016).

  1. T. Reichenbach, K. Mondal, M. Jäger, T. Vent-Schmidt, D. Himmel, V. Dybbert, A. Bruix, I. Krossing, M. Walter, M. Moseler, “Ab-initio study of CO2 hydrogenation mechanisms on inverse ZnO/Cu catalysts”, J. Catal, 360, 168-174 (2018)

  1. A. Sahu, K. Mondal, P. Ghosh, “Microscopic Understanding of Electrocatalytic Reduction of CO2 on Pd-Polyanniline Composite: An ab-initio Study” J. Mol. Mod., 24, 246 (2018).

  1. K. Mondal, P. Ghosh, “Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction” Solid State Commun, 299, 113657, (2019)

  1. Megna, C. Kamal, K. Mondal, A. Banerjee, T.K. Ghanty “Remarkable Structural Effect on the Gold-Hydrogen Analogy in Hydrogen-Doped Gold Cluster” J. Phys. Chem. A, 123, 1973 (2019)

  1. Megha, K. Mondal (co-corresponding author), Arup Banerjee, Tapan K. Ghanty, “Adsorption and Activation of CO2 on Zrn (n=2-7) Clusters”, Phys. Chem. Chem. Phys. 22, 16877(2020)

  1. Aswathi Mohan, Nishamol Kuriakose, K. Mondal ,Prasenjit Ghosh, “CO2 Capture, Activation and Dissociation on Ti2C Surface and Ti2C MXene: Role of Surface Structure”, Phys. Chem. Chem. Phys. 22, 14599(2020)

  1. Megha, K. Mondal, A. Banerjee, T. K. Ghanty, “Adsorption and Activation of CO2 on Small-Sized Cu–Zr Bimetallic Clusters” J. Phys. Chem. A, 125, 12, 2558–2572 (2021)

  1. S. Mondal, R. Ganguly, K. Mondal, “Topological Insulators: An In‐Depth Review of Their Use in Modelocked Fiber Lasers” ANNALEN DER PHYSIK, 2000564 (2021)

  2. H. Singh, R. Biswas, I. Ahmed, P. Thakur, A. Kundu, A. R. Panigrahi, B. Banerjee, K. K. Halder, J. Lahtinen , K. Mondal, and K. Haldar, “Dumbbell-Shaped Ternary Transition Metal (Cu, Ni, Co) Phosphates Bundle: A Promising Catalyst for Oxygen Evolution Reaction” ACS Applied Materials & Interfaces, 14, 6570, 2022

  3. K. Mondal*, Megha, A. Banerjee, A. Fortunelli, M. Walter, M. Moseler. “Ab-initio Modeling of the znO-Cu(111) interface”. J. Phys. Chem. C, 126, 764–771, (2022)

  4. K. Mondal*, Megha, A. Banerjee, A. Fortunelli, “Adsorption and Catalytic Activation of CO2 on a Au19Pt Subnanometer Cluster in Aqueous Environment”. Computational and Theoretical Chemistry,1212, 113701, 2022

  5. Megha, K. Mondal, T. Ghanty, A. Banerjee, Gold–Hydrogen Analogy in Small–Sized Hydrogen–Doped Gold Clusters Revisited, ChemPhysChem, 23, e202200261,2022

  6. Dilip Kumar Jangir; Dastider, Saptarshi; Biswas, Rathindranath; Khirid, Samreet ; Meena, Sangeeta; Kumar, Pankaj ; Sahoo, Subash; Verma, Ved Prakash; Makde, Ravindra; Kumar, Ashwani ; Jangir, Ravindra; K. Mondal; Haldar, Krishna; Dhayal, Rajendra Singh “Dithiophosphonate Anchored Heterometallic (Ag(I)/Fe(II)) Molecular Catalysts for Electrochemical Hydrogen Evolution Reaction”, Inorg. Chem. 61, 13342 (2022)

  7. I. Ahmed; R. Biswas; S. Dastider; H. Singh; S. Mete; A. Patil; M. Saha; A. K. Yadav; S. N. Jha; K. Mondal; H. Singh; Y Ma; K. Haldar; “Mechanism of Iron Integration into LiMn1.5Ni0.5O4 for Electrocatalytic Oxygen Evolution Reaction” Energy & Fuels, 36, 12160 (2022)

  8. S. G. Dastider, A.R. Panigrahi, A. Benerjee, K.K. Halder, A. Fortunelli, K. Mondal* “Does Water Play a Crucial Role in the Growth of ZnO Nanoclusters in ZnO/Cu Catalyst?”, J. Phys Chem C, under review

  9. A. R. Panigrahi,P. Yadav, S. Berua, J. Singh, S.G Dastider, K. Mondal*, S. Singh* “Elucidating the Interaction between Atherogenic Lysophosphatidylcholine and Graphene Nanosheets for Biomedical Applications: A Density Functional Theory based Nano-Bio Interface Study” J. Phys. Chem. C, Under review

  10. R. Biswas; S.G. Dastider; I. Ahmed; S. Barua; K. Mondal*; K. Haldar*, Unravelling the Role of Orbitals Interaction in Electrochemical HER of the Trimetallic AgAuCu Nanobowl Catalyst, J. Phys. Chem. Lett., under review

  11. S. Meena; S.G. Dastider; C. Nishad; D, Jangid; P. Kumar; S. Khirid; S. Bose; K. Mondal; B. Banerjee; R. S. Dhayal, “Ag-S Type Quantum Dots vs Superatom Nanocatalyst: A Single Sulfur Atom Modulated Decarboxylative Radical Cascade Reaction”, Inorg. Chem, under review

  12. R. Biswas; S. Dastider, I. Ahmed, K. Mondal*, K. Haldar* Bio-assist Synthesis of Au/Rh Nanotriangle Electrocatalyst for Hydrogen Evolution and Methanol Oxidation Reactions: Composition Mater!, ACS Appl Nano Mat, under review

 

Research Guidance

PhD Students (on-going, Co-supervisor):

1. Abhishek Ramachandra Panigrahi (registration 2020)

2. Saptarshi Ghosh Dastider (registration 2021)

Peer Recognition

Reviewer of Journals:

 

  • ACS Catalysis

  • ACS Applied Materials and Interfaces

  • Journal of Computational Electronics

  • Chemical Physics Impact

Other Significant Achievements

Text book:

  • “Mathematical Methods in the Physical Sciences: An Indian Adaptation”, 3rd Ed, M. L. Boas, A. P Singh, K. Mondal, Maheshwary, S. Anand, Wiley India Pvt Ltd, 2023.