Academic Profile

Academic Position (May, 2021 - till date) : Reader F, Physics, HRI

Academic Position (Mar, 2019 - May, 2021) : Assistant Professor, Physics, IIT Indore

Academic Position (Feb, 2015 - Feb, 2019) : Førskare, Materials Theory Division, Uppsala University, Sweden

Postdoctoral Fellow (Feb, 2013 - Jan, 2015) : Carl Tryggers Fellow, Materials Theory Division, Uppsala University, Sweden

Postdoctoral Fellow (Mar, 2011 - Jan, 2013) : Max Planck Postdoctoral Fellow, Max Planck Institute for Sustainable Materials, Düsseldorf, Germany

PhD (Aug, 2006 - Feb, 2011) : Bhabha Atomic Research Centre(BARC) & Pune University

Research Interests

Materials Theory and Computational Materials Physics for Energy Materials through cutting edge electronic structure calculations is our prime research focus. The specific research interests are:

1.  Rashba-Dresselhaus and Excitonic Effect in Emerging Materials.

2. Computational High Pressure Physics, Structural and Phase Transition.

3. Electron-Phonon Physics for Topological Insulators and Novel Superconductor.

4. Light Matter Interactions through Quantum Electrodynamical Density Functional Theory (QE-DFT).

5. Structural Prediction and Invertible Neural Network based Inverse Design Approach for Materials Discovery.

6. Development of Standalone DFT based electronic structure codes for Transition Pathway Prediction and Solid-liquid Interface. 

Selected Publications

For latest publications, please refer to Google Scholar and Publication Page of our Resarch Group (MATES Lab, HRI)

Selected 20 Publications (After joining HRI):

1.   Effect of Pre-Intercalation on Li-Ion Diffusion by Operando Investigation and Topochemical Single-Crystal Transformation, Y. Luo†, J. Handy†, Tisita Das†, J. Ponis†, R. Albers, Y-H Chiang, Matt Pharr, B. Schultz, L. Gobbato, D. C. Brown, Sudip Chakraborty*, Sarbajit Banerjee*, Nature Materials, 23, 960 (2024). [†=equal contributing 1st author, *=corresponding author]

2. Unravelling Rashba effect through spin-texture evolution in uni-dimensional-confined halide-perovskite under compression, J. Kaur, Sudip Chakraborty*, Physical Review Materials, 8, 055405 (2024).

3. Spin Texture Evolution of Rashba Splitting under Pressure: A Case Study of Inorganic Nitride Perovskite, S.H. Mir, Sudip Chakraborty*, J. Mater. Chem. A, 12, 29196 (2024).

4. Tuning Optoelectronic Properties of KBaTeBiO6 Double Perovskite through Cationic Interplay, Manasa G.B, Sudip Chakraborty*, ACS Applied Optical Materials, 2, 254 (2024).

5. Establishing the Correlation between Rashba Spin Splitting and HER Activity Enhancement in Janus Structures, D. Kumar, Sudip Chakraborty*, J. Mater. Chem. A, 12, 10287 (2024).

6. Three-fold Impact on Reaction Coordinate Mapping of Zirconium based Tri-chalcogenide Pseudo-monolayers as Emerging  Ultrathin Catalysts for Water Splitting, Ponnappa K.P., Sudip Chakraborty*, Advanced Theory & Simulations, 2400816 (2024).

7. Zero-dimensional Tin Halide Perovskite with Anisotropic Photoconductivity and High Charge Carrier Lifetime for Selective Deep-UV Photodetection, A. Ajayakumar, C. Muthu, Manasa G. B., A. V. Dev, R. Nishikubo, Sudip Chakraborty*, A. Saeki, L. Dou, C. Vijayakumar*, Advanced Functional Materials, 34, 2304899 (2024).

8. Thermally-Induced Reversible Fluorochromism by Self-Trapped Excitonic Emission in a Two-Dimensional Hybrid Copper(I)-Halide Single Crystal, A. Dev, Manasa G.B., S. Deshpande, P. Mukherjee, A. Ajayakumar, C. Muthu, T. Okamoto, Sudip Chakraborty*, D. D. Sarma, V. Biju, C. Vijayakumar*, Chem.Mater. 36, 5912 (2024).

9. Ultrasmall CsPbBr3 Blue Emissive Perovskite Quantum Dots Using K-Alloyed Cs4PbBr6 Nanocrystals as Precursors, C Otero-Martínez, M Zaffalon, Y Ivanov, N Livakas, L Goldoni, G Divitin, Sankalpa Bora, G. Saleh, F. Meinard, A. Fratelli, Sudip Chakraborty, L.Polavarapu, S. Brovelli, Liberato Manna, ACS Energy Letters, 9, 2367 (2024).

10. Colloidal Aziridinium Lead Bromide Quantum Dots, M. Bodnarchuk, L. Feld, C. Zhu, S. Boehme, F. Bertolotti, J. Avaro, M. Aebli, S. H. Mir, N. Masciocchi, R. Erni, Sudip Chakraborty, A.   Guagliardi, G. Raino, Maksym Kovalenko, ACS Nano, 18, 5684 (2024)

11. A Universal Strategy of Perovskite Ink-Substrate Interaction to Overcome the Poor Wettability of a Self-Assembled Monolayer for Reproducible Perovskite Solar Cells, A. Kulkarni, R. Sarkar, S. Akel, M. Haeser, B. Klingebiel, M. Wuttig, Sudip Chakraborty*, Michael Saliba*, Thomas Kirchartz*, Advanced Functional Materials, 33, 2305812 (2023).

12. Defects Tune the Strong Metal-Support Interactions in Copper Supported on Defected Titanium Dioxide Catalyst for CO2 Reduction, R. Belgamwar, R. Verma, Tisita Das, Sudip Chakraborty, P. Sarawade, V. Polshettiwar, JACS, 145, 8634 (2023).

13. CsPbCl3→CsPbI3 Exchange in Perovskite Nanocrystals Proceeds Through a Jump-the-Gap Reaction Mechanism, Nikolaos Livakas, Stefano Toso, Yurii Ivanov, Tisita Das, Sudip Chakraborty, Giorgio Divitini, Liberato Manna, JACS, 145, 20442 (2023).

14. Pressure Driven Optical Transitions in Non-toxic Double Perovskite with a Columnar-ordered B-Site Cation: Piezochromism without Phase Transformation, S. H. Mir, Sudip Chakraborty*, J. Phys. Chem. C, 127, 14805 (2023)

15. Pressure Driven Band Gap Narrowing in Rb2AgPdCl5: Towards Shockley–Queisser limit of Lead Free Double Perovskite, S. H. Mir, Sudip Chakraborty*, J. Phys. Chem. C, 127, 19728 (2023)

16.Tuning Spin Texture and Spectroscopic Limited Maximum Efficiency through Chemical Composition Space in Double Halide Perovskites, J. Kaur, Sudip Chakraborty*, ACS Applied Energy Materials, 5, 5579 (2022).

17. Rationalization of Double Perovskite Oxides as Energy Materials: A Theoretical Insight from Electronic and Optical Properties, Manasa G. B., Sudip  Chakraborty*, ACS Materials Au, 2, 655 (2022). [Invited Perspective for Rising Stars Special Issue]

18.  Tuning Paradigm of External Stimuli Driven Electronic, Optical and Magnetic Properties in Hybrid Perovskites and Metal Organic Complexes, H. Banerjee,  J. Kaur, M.K.Nazeeruddin*, Sudip Chakraborty*, Materials Today, 60, 183 (2022).

19. Assessing the Drawbacks and Benefits of Ion migration in Lead Halide Perovskites, K. Sakhatskyi, R. John, A. Guerrero, S. Tsarev, S. Sabisch, Tisita Das, M. Gebhard, S. Yakunin, I. Cherniukh, M. Kotyrba, Y. Berezovska, M. Bodnarchuk, Sudip Chakraborty, Juan Bisquert, Maksym Kovalenko, ACS Energy Letters, 7, 3401 (2022).

20. Evolution of Hybrid Organic-Inorganic Perovskite Materials under External Pressure, Manasa G. B., M. K. Nazeeruddin*, Sudip Chakraborty*, Applied Physics Reviews, 8, 041409 (2021) [Editor's Choice Featured Article]