High-capacity hydrogen storage in zirconium decorated psi-graphene: acumen from density functional theory and molecular dynamics simulations HT Nair, PK Jha, B Chakraborty International Journal of Hydrogen Energy 48 (96), 37860-37871, 2023 | 31 | 2023 |
First principles study on yttrium decorated BeN4 monolayer for reversible hydrogen storage G Sanyal, HT Nair, PK Jha, B Chakraborty Journal of Energy Storage 68, 107892, 2023 | 11 | 2023 |
Exploring effects of strain on newly synthesised two-dimensional polyaramid for hydrogen storage using DFT HT Nair, PK Jha, B Chakraborty Surfaces and Interfaces 42, 103444, 2023 | 6 | 2023 |
Theoretical insight for supercapacitors based on 2D materials from DFT simulations B Chakraborty, HT Nair Fundamentals and Supercapacitor Applications of 2D Materials, 105-128, 2021 | 5 | 2021 |
Ca Functionalization of the Polyaramid System for Reversible Hydrogen Storage: A DFT Study HT Nair, M Kandasamy, PK Jha, B Chakraborty ACS Applied Energy Materials 7 (7), 2579-2592, 2024 | 3 | 2024 |
Ti-decorated C 30 as a high-capacity hydrogen storage material: insights from density functional theory HT Nair, A Kundu, P Ray, PK Jha, B Chakraborty Sustainable Energy & Fuels 7 (20), 5109-5119, 2023 | 2 | 2023 |
High-capacity hydrogen storage in Li-decorated newly synthesized 2D polyaramid: Insights from density functional theory HT Nair, PK Jha, B Chakraborty FlatChem 47, 100727, 2024 | | 2024 |
Three fold Spin valley intertwined Dirac cone in nonmagnetic Weyl Semimetal PtSnS with the Kagome lattice A theoretical DFT perspective R Trivedi, S Lakshmy, HT Nair, A Shukla, B Chakraborty arXiv preprint arXiv:2405.12254, 2024 | | 2024 |
Theoretical and DFT Related Studies of Metallic TMDs HTNB Chakraborty 2D Metallic Transition Metal Dichalcogenides: Fundamentals and Applications, 308, 2022 | | 2022 |