Metal-sulfur battery:
M. Singh and V. Barone, "Unified Thermodynamic and Kinetic Criteria for Screening 2D Anchoring Materials in Li–S, Na–S, and K–S Batteries",ACS Applied Energy Materials, (submitted).
J. Pandey, A. Yazdani, M. Singh, I. N. Boakye, K. L. Kilbarger, C. Chavez, Z. Jasper, B. R. Seltin, B. D. Fahlman, V. Barone, M. Wolfman, C.-H. Chang, Y. Ding, and V. Petkov, “Regulating Polysulfide Conversion on Fe-Nₓ Single-Atom Catalysts Supported on Graphitic Carbon Nitride Revealed by Semi-In Situ XPS of Li-S Batteries,” (submitted).
Material modeling:
M. Singh and B. Chakraborty, "2D BN-Biphenylene: Structure Stability and Properties Tunability with DFT Perspective", PCCP 2023, DOI: https://doi.org/10.1039/D3CP00776F
M. Singh, S. P. Kaur, and B. Chakraborty, “Modeling and tuning the electronic, mechanical and optical properties of a recently synthesized 2d polyaramid: A first principles study,” PCCP, 2024. DOI: https://doi.org/10.1039/D4CP02027H.
Hydrogen production:
M. Singh, A. Shukla, and B. Chakraborty, "Improving Hydrogen evolution catalytic activity of 2D carbon allotrope Biphenylene with B, N, P doping: Density Functional Theory Investigations", IJHE 2023, https://doi.org/10.1016/j.ijhydene.2023.08.359
Hydrogen storage:
M. Singh, A. Shukla, and B. Chakraborty, "Highly Efficient Hydrogen Storage of Sc Decorated Biphenylene Monolayer near Ambient-temperature: An Ab-initio Simulations", Sustainable Energy & Fuels 2023, DOI: 10.1039/D2SE01351G
M. Singh, A. Shukla, and B. Chakraborty, "High capacity hydrogen storage on zirconium decorated γ-graphyne: A systematic first-principles study", International Journal of Hydrogen Energy 2022, DOI: https://doi.org/10.1016/j.ijhydene.2022.07.062
M. Singh, A. Shukla, and B. Chakraborty, "An Ab-initio study of the Y decorated 2D holey graphyne for hydrogen storage application", Nanotechnology 2022, DOI: 10.1088/1361-6528/ac7cf6
P. Mane, S. P. Kaur, M. Singh, A. Kundu, and B. Chakraborty, "Superior hydrogen storage capacity of Vanadium decorated biphenylene (Bi+ V): A DFT study", IJHE 2023, DOI: https://doi.org/10.1016/j.ijhydene.2023.04.033