Madhulika Mazumder

I am a Postdoctoral Research Fellow in the Scanlon Materials Theory Group, School of Chemistry, University of Birmingham.

My research involves designing materials for energy storage and harvesting, understanding electrochemical mechanisms in batteries, founded on principles of solid state chemistry and deploying atomistic computational techniques.

• 2023 : Advancing Molecules and Materials via Data Science, CSE Data Science Initiative, University of Minnesota

• 2023 : 5th i-CoMSE Workshop: Machine Learning for Molecular Science, University of Minnesota, Twin Cities

• 2023 : Next Generation Electrochemistry, University of Illinois, Chicago, in partnership with Argonne National Laboratory : Worked on a team project on ”Defects: A problem surpassing scales” as an approach towards solving existent challenges in electrifying everything.

• 2021 : CECAM Flagship Workshop, Materials Design for Energy Storage and Conversion: Theory and Experiment

• 2020 : CCMS : Computational Chemistry and Materials Science Summer Institute, Lawrence Livermore National Laboratory

• 2020, 2018 : International Winter School, JNCASR

• 2019 : SJSACMS, Sorbonne JNCASR School on Advanced Computational Materials Science

• 2017 : JNCASR-I2CAM School on Clean and Renewable Energy Technologies via Chemical Route, JNCASR

• 2024 : RSC Solid State Chemistry Conference, Birmingham, Poster Presentation

• 2024 : MRS Fall, Boston, Poster Presentation. Nominated for Best Poster Award

• 2024 : Solid State Ionics, London

• 2024 : Faraday Institution Annual Conference, Newcastle

• 2022 : Gordon Research Seminar and Conference : Batteries, Ventura, CA, USA, Poster Presentation

• 2022 : 31st Topical Meeting of the International Society of Electrochemistry, Aachen, Germany. Poster Presentation

• 2021 : Materials Research Society(MRS) Fall Meeting, Boston, MA, USA On Demand Symposia - Poster Presentation

• 2020 : IHS (In House Symposium), JNCASR Poster Presentation - Best Poster Award

• 2019 : 15th JNC Conference on Chemistry of Materials, Kerala Poster Presentation

• 2019 : Chemical Frontiers, Goa, Best Poster Selected for Oral Presentation

• 2019 : Theoretical Chemistry Symposium (TCS), BITS Pilani Poster Presentation

• 2019 : Chemistry and Physics of Materials: Glorious Past and Exciting Future, SAMat, JNCASR, Poster Presentation

1. Phosphorene quantum dots, Pratap Vishnoi, Madhulika Mazumder, Manaswee Barua, Swapan K Pati, CNR Rao, Chemical Physics Letters, 2018, 699, 223-228

2.  Arsenene nanosheets and nanodots, Pratap Vishnoi, Madhulika Mazumder, Swapan K.Pati, C.N.R.Rao, New Journal of Chemistry, 2018, 42, 14091 

3. High Capacity and High-Rate NASICON -Na3.75V1.25Mn0.75(PO4)3 Cathode for Na-Ion Batteries via Modulating Electronic and Crystal Structures, Subham Ghosh, Nabadyuti Barman, Madhulika Mazumder, Swapan K. Pati, Gwenaëlle Rousse, and Premkumar Senguttuvan, Advanced Energy Materials, 2019, 1902918 

4. New Series of Pentanary Oxides, AM2C6Te3O18 (A = Pb, Sr; M = Mn, Cd; C = Ni, Co): Synthesis, Structure, and Magnetic and Optical Properties, Gurusamy Sivakumar, Madhulika Mazumder, Abhiroop Lahiri, Athinarayanan Sundaresan, Swapan K. Pati, Mitsuhiko Maesato, Hiroshi Kitagawa, Jagannatha Gopalakrishnan, and Srinivasan Natarajan, Journal of Physical Chemistry C, 2020, 124, 25071-25077 

5. Unraveling the formation mechanism of NaCoPO4 Polymorphs, Aditi Chiring, Madhulika Mazumder, Swapan K Pati, Christopher S Johnson, Premkumar Senguttuvan, Journal of Solid State Chemistry, 2021, 293, 1217662 

6. Theoretical Insights into Na5M(PO4)2F2 (M = Cr, V): A Fluorophosphate-Based High-Performance Cathode System for Sodium-Ion Batteries., Madhulika Mazumder, Swapan K Pati, Journal of Physical Chemistry C, 2021, 125, 36, 19593-19599 

7. Elucidating the Impact of Mg Substitution on the Properties of NASICON : Na3+V2−Mg(PO4)3 Cathodes, Subham Ghosh, Nabadyuti Barman, Eliovardo Gonzalez-Correa, Madhulika Mazumder, Aryan Zaveri, Raynald Giovine, Alexis Manche, Swapan K Pati, Raphaële J Clément, Premkumar Senguttuvan, Advanced Functional Materials, 2021, 2105463 

8. Polaronic Signatures in doped and undoped Cesium Lead Halide Perovskites Nanocrystals through Photoinduced Raman mode, Priyanka Jain, Madhulika Mazumder, Pradeep K R, Ranjani Viswanathana, Swapan K Pati, Chandrabhas Narayana, ACS Applied Materials and Interfaces, 2022, 14, 4, 5567-5577 

9.Magnetic aspects and assemblies of solvent-mediated layered manganese dicarboxylate based coordination polymers, Bharti Singh, Madhulika Mazumder, Balendra, Sundaresan Athinarayanan, Swapan K Pati, Arunachalam Ramanan, Crystal Growth Design, 2022, 22, 4, 2534-2546

10. “The Effect of a Structural Phase Transition on the Ionic Conductivity of Vanthoffite Type Solid Electrolytes”, Madhulika Mazumder, Swapan K Pati, ChemRxiv. Cambridge: Cambridge Open Engage; 2022

11. Tailoring High-Performance Ternary Transition Metal-Based NASICON-Na(9–2x–3y–4z)MnxVyZrz(PO4)3 Cathodes via Combinatorial Chemical Substitutions Biplab Patra, Keshav Kumar, Subham Ghosh, Madhulika Mazumder, Swapan K. Pati, and Premkumar Senguttuvan, Chemistry of Materials, 2024 

12. Synthesis, electronic structure, and redox chemistry of Li2MnP2S6, a candidate high-voltage cathode mate- rial”, Yi-Ting Cheng, Fujii Yuta, Yu Nomata, Madhulika Mazumder, Nataly Carolina Rosero-Navarro, Kiyoharu Tadanaga, Masatomo Yashima, Mizuguchi Yoshikazu, Chikako Moriyoshi, Yasuaki Tokudome, Takao Mitsu- dome, Akira Miura, and Christopher J. Bartel, Chemistry of Materials, 2024.

Upcoming manuscripts : 

13. High Voltage Degradation in NASICON Na3+yV2-yMgy(PO4)3 Cathodes” Eliovardo Gonzalez-Correa, Madhulika Mazumder, Keshav Kumar, Subham Ghosh, , Swapan K. Pati, Raphaële J. Clément and Premkumar Senguttuvan 

14. Deciphering the Interplay of Intrinsic Defects and Redox Mechanisms in Li2NiO3 - a Li rich layered oxide cathode material, Madhulika Mazumder, Alexander G Squires, David O Scanlon 

15. Exploring Lithium Yttrium Titanate as an Anode Material for Lithium-Ion Batteries - Sophie Hill, Madhulika Mazumder, Alexander G Squires, David O Scanlon.

16. Oxygen dimers in spinel cathode materials for high voltage lithium-ion batteries (in collaboration with Serena Cussen, Louis Piper, Nuria Tapia Ruiz)

• Prof David O Scanlon, School of Chemistry, University of Birmingham, Edgbaston, Birmingham, United Kingdom d.o.scanlon@bham.ac.uk
• Prof. Swapan K Pati, Theoretical Sciences Unit (TSU), JNCASR, Bangalore, Karnataka, India, swapan.jnc@gmail.com
• Prof. Chris Bartel, Chemical Engineering and Materials Science Department, University of Minnesota, Minneapolis, Minnesota, USA, cbartel@umn.edu

A motivated thinker with a zeal for science at all domains.

Believes in an inclusive workplace that ensures equality, positivity and mental wellbeing.

English ,Bengali, Hindi, Spanish

• Cathode Materials for Alkali Ion Batteries - Structural Enumeration; Electrochemical Profile, Structural and Order-Disorder Phase Transitions in Ionic Conductors. Materials studied : Polyanionic based frameworks, Oxides - Layered oxide systems, Spinel phases, Na-rich oxides.

• Materials for photovoltaic applications - semiconductor alloys, optoelectronic proper- ties, tools for analyzing chemical bonding, defect chemistry and synthesis strategies. Materials studied : Chalcogenide perovskite systems with transition metal substitution and intrinsic defects.

• Optoelectronic properties,Charge Transfer Phenomena,Modelling IR and Raman Activity, Polaron Formation processes of low dimensional systems.
  Materials Studied : 0D Black Phosphorene QDs, 2D Arsenene Nanosheets, 3D CsPbX3 nanocrystals.

• Magnetic behaviour - estimating exchange interactions, correlating crystal symmetry with magnetic order.
  Materials Studied : Pentanary mixed metal oxides, Layered Manganese (II) dicarboxylate based coordination polymers.