Publications

28. “Inducing Rigidity in Layered Structures for Improved Anodic Performance in Magnesium-Ion Battery: A Computational Design", Vikas Singh Thakur and Swastika Banerjee*, J. Phys. Chem. C, (2024). 

27. “Atomically precise copper nanoclusters as a potential catalyst for the electrochemical oxygen evolution reaction", Vishal Saini,   Krishankant,   Shweta Choudhary,   Ashish Gaur,   Swastika Banerjee*, Vivek Bagchi*  and  V. Venkatesh*, J. Mater. Chem. A, 11,  24754-24763(2023).

26. “Interfacial Stability of Layered LiNixMnyCo1–x–yO2 Cathodes with Sulfide Solid Electrolytes in All-Solid-State Rechargeable Lithium-Ion Batteries from First-Principles Calculations", Hideyuki Komatsu, Swastika Banerjee, Manas Likhit Holekevi Chandrappa, Ji Qi, Balachandran Radhakrishnan, Shigemasa Kuwata, Kazuyuki Sakamoto, and Shyue Ping Ong*, J. Phys. Chem. C, 126, 41, 17482–17489(2022).


25. “Thermodynamics and Kinetics of the Cathode–Electrolyte Interface in All-Solid-State Li–S Batteries”, Manas Likhit Holekevi Chandrappa, Ji Qi, Chi Chen, Swastika Banerjee∗, and Shyue Ping Ong,∗ J. Am. Chem. Soc. 144, 39, 18009 (2022) ∗Corresponding author

24. “Role of Critical Oxygen Concentration in the β-Li3PS4–xOx Solid Electrolyte", Swastika Banerjee, Manas Likhit Holekevi Chandrappa, and Shyue Ping Ong, ACS Appl. Energy Mater., 5, 1, 35 (2022)


23. “Synthetic control of structure and conduction properties in Na–Y–Zr–Cl solid electrolytes", Elias Sebti, Ji Qi, Peter M. Richardson, Phillip Ridley, Erik A. Wu,   Swastika Banerjee, Raynald Giovine, Ashley Cronk, So-Yeon Ham,   Ying Shirley Meng*, Shyue Ping Ong* and  Raphaële J. Clément*, J. Mater. Chem. A, 10, 21565-21578(2022).


22. “Bridging the Gap Between Simulated and Experimental Ionic Conductivities in Lithium Superionic Conductors”, Ji Qi, Swastika Banerjee, Yunxing Zuo, Chi Chen, Zhuoying Zhu, H.C. Manas Likhit, Xiangguo Li, Shyue Ping Ong, Materials Today Physics 21, 100463 (2021) 

21. “A Stable Cathode-Solid Electrolyte Composite for Long-Cycle-Life Solid-State Sodium-ion Batteries”, Erik Wu∗, Swastika Banerjee∗, Hanmei Tang∗, Peter M Richardson, Jean-Marie Doux, Ji Qi, Zhuoying Zhu, Antonin Grenier, Yixuan Li, Enyue Zhao, Grayson Deysher, Han Nguyen, Ryan Stephens, Guy Verbist, Karena W Chapman, Raphaële J Clément, Abhik Banerjee, Ying Shirley Meng, and Shyue Ping Ong, Nat. Commun., 12, 1256 (2021) ∗Equal first author

20. “Tunable Lithium Transport in Mixed-Halide Argyrodite”, Sawan K. Patel∗, Swastika Banerjee∗, Haoyu Liu, Pengbo Wang, Po-Hsiu Chien, Xuyong Feng, Jue Liu, Shyue Ping Ong, Yan-Yan Hu, Chem. Mater., 33, 4, 1435–1443 (2021) ∗Equal first author

19. “Effect of conjugation on the vibrational modes of a carbon nanotube dimer”, Deepa Sharma, Swastika Banerjee, Swapan K.Pati and Neena Jaggi, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 246, 118985 (2021)

18. “Rechargeable Alkali-Ion Battery Materials: Theory and Computation”, Anton Van der Ven, Zhi Deng, Swastika Banerjee and Shyue Ping Ong, Chem. Rev. 120 (14), 6977 (2020)

17. “The effects of interstitial Iodine in hybrid perovskite hot carrier cooling: A Non Adiabatic Molecular Dynamics study”, Swastika Banerjee, Jun Kang, Xiuwen Zhang, Lin-Wang Wang, J. Chem. Phys. 152, 091102 (2020) 

16. “Motif-Based Design of an Oxysulfide Class of Lithium Superionic Conductors: Toward Improved Stability and Record-High Li-Ion Conductivity”, Swastika Banerjee*, Xiuwen Zhang, Lin-Wang Wang, Chem. Mater. 31 (18), 7265-7276 (2019) ∗first & corresponding author


15. “Designing a porous-crystalline structure of β-Ga2O3: a potential approach to tune its opto-electronic properties”, Swastika Banerjee*, Xiangwei Jiang, Lin-Wang Wang, Phys. Chem. Chem. Phys. 20, 14, 9471-9479 (2018) ∗first & corresponding author

14. “Regulation of transport properties by polytypism: a computational study on bilayer MoS2”, Swastika Banerjee, Jaehong Park, Cheol Seong Hwang, Jung-Hae Choi, Seung-Cheol Lee and Swapan K. Pati, Phys.Chem.Chem.Phys., 19, 21282 (2017)

13. “Nanoscale Stabilization of Nonequilibrium Rock Salt BiAgSeS: Colloidal Synthesis and Temperature Driven Unusual Phase Transition”, Satya Narayan Guin, Swastika Banerjee, Dirtha Sanyal, Swapan K. Pati and Kanishka Biswas, Chem. Mater. 29, 3769-3777 (2017)

12. “Synthetically Tuned Structural Variations in Ce2PdGe3 Towards Magnetic Exchange Bias and other Physical Properties”, Sumanta Sarkar, Swastika Banerjee, Pramod Halappa, Deepti Kalsi, Swapan K. Pati, Somnath Ghara, A. Sundaresan, Ivan da Silva, Rajeev Rawat, Sudhindra Rayaprol, Boby Joseph and Sebastian C. Peter, Inorg. Chem. Front., 4, 241 (2017)

11.“Black Phosphorus as Anode for Magnesium-ion Battery: The Significance of Mg-P Bond synergy”, Swastika Banerjee and Swapan K. Pati, Chem. Commun. 52, 8381-8384(2016)

10. “First-principles Design of a Borocarbonitride based Anode for Superior Performance in Sodium-ion Battery and Capacitor”, Swastika Banerjee, Siam Khanthang Neihsial, and Swapan K. Pati, J. Mater. Chem. A, 4, 5517-5527 (2016)

9. “Origin of order-disordered phase transition and anomalous change of thermopower in AgBiS2 Nanocrystals: A combined experimental and theoretical study”, Satya N. Guin, Swastika Banerjee, Dirtha Sanyal, Swapan K. Pati and Kanishka Biswas, Inorg. Chem. 55 (12),6323-6331 (2016)

8. “Charge-transport anisotropy in black phosphorus: critical dependence on the number of layers”, Swastika Banerjee and Swapan K. Pati, Phys. Chem. Chem. Phys. 18, 16345-16352 (2016)

7.“Eu3Ir2In15: A Mixed-Valent and Vacancy-Filled Variant of the Sc5Co4Si10 Structure Type with Anomalous Magnetic Properties”, Sumanta Sarkar, Swastika Banerjee, Rajkumar Jana, Ramesh Siva, Swapan K Pati, Mahalingam Balasubramanian, Sebastian C Peter, Inorg.chem., 54 (22), 10855-10864 (2015)

6. “Surface-Mediated Extraction and Photoresponse Modulation of Bisphenol A Derivatives: A Computational Study”, Swastika Banerjee and Swapan K. Pati, ACS Appl. Mater. Interfaces, 7 (43), 23893-23901 (2015)

5. “Criticality of Surface Topology for Charge-carrier Transport Characteristics in Two-Dimensional  Borocarbonitrides : Design Principle of an Efficient Electronic Material”, Swastika Banerjee and Swapan K. Pati, Nanoscale, 6, 13430-13434 (2014)

4. “Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD study”, Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati, J. Mater. Chem. A, 2, 3856-3864(2014)

3. “Formation Mechanism and Possible Stereo Control of Bisphenol A derivatives: A Computational Study”, Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati,  J. Phys. Chem.B, 118, 9258-9262 (2014) 

2. “Structural, optical and hydrogen adsorption properties of B9/metal-B9 clusters: A Density Functional Theoretical Study”, Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati, Phys. Chem. Chem. Phys., 15 , 8303-8310 (2013)

1. “Role of Lithium Decoration on Hydrogen Storage Potential'', Sudip Pan, Swastika Banerjee, Pratim Kumar Chattaraj, J. Mex. Chem. Soc. 56, 3, 229-240 (2012)

Patents