Publications

Highlighted Articles 

15. Nishchal Bharadwaj, Roy D., Das A., Pathak B. Utilizing Machine Learning to Optimize Pt-Surface Catalysts for Improved Oxygen Reduction Reaction (ORR) Performance. 2024 (Under Preparation)

14. Nishchal Bharadwaj, Anil Kumar and Mohan Tiwari. Dimensional Effects on Catalytic Activity of Li–S Batteries: Comparative Analysis of Carbon and BN-Doped Materials, ACS Applied Energy Materials, 2024, (Submitted)

13. Halder; S., Naskar; S., Jana; D., Kanrar; G., Mandal; C. M., Roy; S., Nishchal Bharadwaj, Pramanik; K., Ganguly., S. Dehydrogenative Coupling for Synthesis of Quinazolin-4(3H)-ones via Tandem Reaction using Ruthenium(II)-Phenyl-Azo-Naphthaldoxime: An Experimental and Theoretical Investigation Chemistry - An Asian Journal, 2024  [Experimental collaboration] 

12. K. M. M. D. K. Kimbulapitiya; Sumayah Shakil Wani; Nishchal Bharadwaj; Shyam Narayan Singh Yadav; Srikant Kumar Mohanthy; G. Phaneendra Reddy; Bushra Rehman; Ta-Jen Yen; Yun-Lun Chueh; Pallavolu Mohan Reddy; Po-Tsung Lee, Investigation of Cobalt Oxide Thin Films by Oxygen Annealing for Electrocatalysis, Investigation of Cobalt Oxide Thin Films by Oxygen Annealing for Electrocatalysis, Journal of Physics and Chemistry of Solids, 2024 (Submitted) [Experimental collaboration]  

11. Hasem Ansari, Manfred M. Kappes Nishchal Bharadwaj, Biswarup Pathak and Ananya Baksi, Tuning structure and NIR II emission in thiolated Au12Ag32 clusters by tuning Au positions. 2024  (Submitted) [Experimental collaboration] 

10. Kundan K. Singh, Nishchal Bharadwaj, Biswarup Pathak and Anindita Das, Electronic and Optical properties of NHC-protected gold clusters. (Submitted) [Experimental collaboration]  

9. Mohan Tiwari and Nishchal Bharadwaj, Unlocking Nanoscale Core-Shell C12@Au30 Clusters via Au/H Analogy. Phys. Chem. Chem. Phys., 2024. (Revision Submitted)

8.  Nishchal Bharadwaj, Roy D., Das A., Pathak B.  Predicting ORR Catalytic Activity of Pure Nanoclusters using a DFT-Assisted Machine Learning, ACS Materials Letters, 2024, (Submitted)

7. Nishchal Bharadwaj, Surya Sekhar Manna, Milan Kumar Jena, Diptendu Roy, Biswarup Pathak ,Unlocking the efficiency of non-aqueous Li–air batteries through the synergistic effect of dual metal site catalysts: an interpretable machine learning approach, J. Mater. Chem. A, 2024,12, 15115-15126 

6. Nishchal Bharadwaj, Biswarup Pathak Localized charge-induced ORR/OER activity in doped fullerenes for Li–air battery applications, Nanoscale, 2024,16, 5257-5266 

2023

5. Rahul Kumar Sharma, Akhil S Nair, Nishchal Bharadwaj, Diptendu Roy, Biswarup Pathak ,Role of Fluxionality and Metastable Isomers in the ORR Activity: A Case Study, J. Phys. Chem. C, 2023, 127, 1, 217–228 

4. Nishchal Bharadwaj, Sandeep Das, Akhil S Nair, Biswarup Pathak ,Mechanistic Study of Solvent-Mediated Oxygen Reduction Reaction/Oxygen Evolution Reaction for Li-Air Battery Applications, J. Phys. Chem. C, 2023, 127, 21, 10069–10076 

2022

3. Nishchal Bharadwaj, Sandeep Das and Biswarup Pathak, Role of Morphology of Platinum-Based Nanoclusters in ORR/OER Activity for Nonaqueous Li–Air Battery Applications, ACS Appl. Energy Mater., 2022, 5, 10, 12561-12570.

2. Nishchal Bharadwaj, Nair A. S., Das S., Pathak, B.Size-Dependent Effects in Fullerene-Based Catalysts for Nonaqueous Li–Air Battery Applications, ACS Appl. Energy Mater., 2022, 5, 3, 3380–3391.

2021

1. Nishchal Bharadwaj, Nair A. S., Pathak B. Dimensional-Dependent Effects in Platinum Core–Shell-Based Catalysts for Fuel Cell Applications, ACS Appl. Nano Mater., 2021, 4,9, 9697–9708.