Embedded Files
41. "Fluorinated garnet: benchmarking Li-ion conductivity through structure–transport correlations and trade-offs", Saumya Ranjan Mahanta, Swastika Banerjee*, J. Mater. Chem. A 2026. [Download PDF]
40. "Selective Dinitrogen Electroreduction to Ammonia on Zn2V2O7 Pyrochlore", Naina Goyal, Shweta Choudhary, Benedict Witulski, Shuai Yan, Bhupendra Singh, Nikolay Kornienko, Swastika Banerjee, Sanjay Mathur*, ACS Catal. 2026. [Download PDF]
39. "Exploring Water Restriction in the Inner Helmholtz Plane for Enhanced Zinc Anode Protection through Fast Scan Voltammetry with Ultramicroelectrodes", Bharat Bhushan Upreti, Vikas Singh Thakur, Surajit Samui, Kingshuk Roy, Swastika Banerjee, Ramendra Sundar Dey*, ACS Electrochem. 2026. [Download PDF]
38. “Ion-Specific Storage and Diffusion Mechanisms in Cross-Linked Layered Phosphorus Electrodes: From Clustering to Correlated Dynamics", Vikas Singh Thakur, and Swastika Banerjee*, J. Phys. Chem. C 2025, 129, 21355−21363. [Download PDF]
37. "Vacancy-Engineered Vanadium Cathode for Fast-Charging Aqueous Zinc Batteries of Ultra-Long Cycle Life", Saheb Bag, Vikas Singh Thakur, Abhirup Bhadra, Swastika Banerjee*, Dipan Kundu, C. Retna Raj*, Adv. Funct. Mater. 2025, e15788. [Download PDF]
36. “Intermediate Phase-Ordering in Pd–Cd–Zn Electrocatalysts for Accelerated Alkaline Hydrogen Evolution", Surajit Mondal, Ritika Saroha, Mamoni Maji, Santanu Mal, Asish Kumar Mishra, Swastika Banerjee*, and Sayan Bhattacharyya*, ACS Materials Lett., 7, 3835–3843(2025). [Download PDF]
35. "DFT-D3 for Solid-State Materials: A Data-Driven Perspective on Accuracy", Partha Pratim Paul, Vikas Singh Thakur, and Swastika Banerjee*, Adv. Theory Simul, e01072(2025). [Download PDF]
34. “Unlocking high performance in Na-Fe-Mn-O Cathode through Phase-Transition-free Cycling", Amit Ghoshal, Vikas Singh Thakur, Susmita Pramanik, Vanshika Mehta, Sher Singh Meena, Moritz Hirsbrunner, S. D. Kaushik, Tinku Dan, Pontus Törnblom, Anirudha Ghosh, Conny Såthe, Takashi Tokushima , Laurent Duda, Subham Ghosh, Swastika Banerjee, and Urmimala Matira*, EES Batteries, 1, 1255-1266(2025). [Download PDF]
33. “Ion coordination and migration mechanisms in alkali metal complex borohydride-based solid electrolytes", Shweta Choudhary and Swastika Banerjee*, Commun Chem 8, 123 (2025). [Download PDF]
32. “Designing Superatomic (Li/Na/K)-Al-Sc Cluster Catalysts for Selective Electrochemical HER and NRR", Ritika Saroha, Shweta Choudhary, Rashmi Brahma and Swastika Banerjee*, J. Phys. Chem. C, 29 (14), 6562-6573 (2025). [Download PDF]
31. “Non-local interactions determine local structure and lithium diffusion in solid electrolytes", Swastika Banerjee* and Alexandre Tkatchenko*, Nat. Commun, 16, 1672 (2025). [Download PDF]
30. “Electrochemical Engineering of Anode with Zincophilic Polymer Interface for Reversible Zinc Battery", Akash Mukhraj Paswan, Vikas Singh Thakur, Swastika Banerjee, C. Retna Raj*, Adv. Funct. Mater., 2412370(2024). [Download PDF]
29. “Efficient Electron Injection into Graphullerene Enables Reversible NaC2 Sodium Storage", Shweta Choudhary, Ritika Saroha, and Swastika Banerjee*, ACS Appl. Mater. Interfaces, 16, 38, 50859-50869(2024). [Download PDF]
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, 128, 19, 7865–7875(2024). [Download PDF]
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). [Download PDF]
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). [Download PDF]
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) [Download PDF]
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). [Download PDF]
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). [Download PDF]
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) [Download PDF]
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, ∗Equal first author, Nat. Commun., 12, 1256 (2021) [Download PDF]
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, ∗Equal first author, Chem. Mater., 33, 4, 1435–1443 (2021) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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). [Download PDF]
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, ∗first & corresponding author, Chem. Mater. 31 (18), 7265-7276 (2019) [Download PDF]
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, *first & corresponding author, Phys. Chem. Chem. Phys. 20, 14, 9471-9479 (2018). [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
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). [Download PDF]
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) [Download PDF]
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) [Download PDF]
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) [Download PDF]
Patents
Patents
"Novel chlorine-based sodium solid electrolyte", Swastika Banerjee, Erik Wu, Hanmei Tang, Abhik Banerjee, Ying Shirley Meng, and Shyue Ping Ong, Submitted as US patent (2021), Application No. SD2020-098-1, MD Ref. UCSD.20098PR
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