Engineering redox potential of lithium clusters for electrode material in lithium-ion batteries AK Kushwaha, MR Sahoo, J Nanda, SK Nayak Journal of Cluster Science 28, 2779-2793, 2017 | 23 | 2017 |
Wobbled electronic properties of lithium clusters: Deterministic approach through first principles AK Kushwaha, SK Nayak Physica E: Low-dimensional Systems and Nanostructures 97, 368-374, 2018 | 19 | 2018 |
Understanding the Role of Fluorination on the Interaction of Electrolytic Carbonates with Li+ through an Electronic Structure Approach Anoop K. Kushwaha, Mihir R. Sahoo, Saroj K. Nayak ChemistrySelect 4 (4), 1251-1258, 2019 | 12 | 2019 |
Charge transfer and hybridization effect at graphene-nickel interface: A tight binding model study S Sahu, MR Sahoo, AK Kushwaha, GC Rout, SK Nayak Carbon 142, 685-696, 2019 | 12 | 2019 |
First-principles study of a vertical spin switch in atomic scale two-dimensional platform MR Sahoo, AK Kushwaha, R Pati, PM Ajayan, SK Nayak Journal of Magnetism and Magnetic Materials, 2019 | 9 | 2019 |
Thermal and Electrical Conductivity of Copper‐Graphene Heterosystem: An Effect of Strain and Thickness A Samal, AK Kushwaha, D Das, MR Sahoo, NA Lanzillo, SK Nayak Advanced Engineering Materials, 2023 | 6 | 2023 |
Electrolytic Solvation Effects in Fluoroethylene Carbonate and Trifluoropropylene Carbonate: A Comparative Study Based on First-Principles Calculation AK Kushwaha, SS Jena, MR Sahoo, SK Nayak Journal of Electronic Materials 50, 1807-1816, 2021 | 4 | 2021 |
Halogen-Free Electrolytes Based on Modified Boranes for Alkali-Ion Batteries AK Kushwaha, SS Jena, P Jena, SK Nayak Journal of Physical Chemistry C 126 (11), 5112-5121, 2022 | 3 | 2022 |
Gold nanoparticles augment N-terminal cleavage and splicing reactions in Mycobacterium tuberculosis SufB A Nanda, SS Nasker, AK Kushwaha, DK Ojha, AK Dearden, SK Nayak, ... Frontiers in Bioengineering and Biotechnology 9, 1213, 2021 | 3 | 2021 |
Single Mn Atom Doping in Chiral Sensitive Assembled Gold Clusters to Molecular Magnet DK Swain, G Mallik, P Srivastava, AK Kushwaha, P Rajput, SN Jha, S Lim, ... ACS nano 15 (4), 6289-6295, 2021 | 3 | 2021 |
Theoretical and Computational Investigations of Li-Ion Battery Materials and Electrolytes AK Kushwaha Electrochemical Energy Conversion and Storage Systems for Future …, 2020 | 2 | 2020 |
Probing potential Li-ion battery electrolyte through first principles simulation of atomic clusters AK Kushwaha, MR Sahoo, S Nayak AIP Conference Proceedings 1951 (1), 020014-4, 2018 | 2 | 2018 |
Functional Pyromellitic Diimide as a Corrosion Inhibitor for Galvanized Steel: An Atomic-Scale Engineering AK Kushwaha, MR Sahoo, M Ray, D Das, S Nayak, A Maity, K Sarkar, ... ACS omega 7 (31), 27116-27125, 2022 | 1 | 2022 |
Band gap modulation of graphene by metal substrate: A first principles study MR Sahoo, S Sahu, AK Kushwaha, SK Nayak AIP Conference Proceedings 1942 (1), 2018 | 1 | 2018 |
Study of electronic and magnetic properties of h-BN on Ni surfaces: A DFT approach MR Sahoo, S Sahu, AK Kushwaha, S Nayak AIP Conference Proceedings 1951 (1), 030003-5, 2018 | 1 | 2018 |
Effect of Doping on the Electronic and Physicochemical Properties of the Atomic Carbon Clusters: A Theoretical Perspective AK Kushwaha, SS Jena, MR Sahoo New Forms of Carbon, 59-92, 2024 | | 2024 |
Colossal Stability of SiB11(BO)12−: An Implication as Potential Electrolyte in High‐Voltage Alkali‐ion Battery A Kumar Kushwaha, S Soumya Jena, M Ranjan Sahoo, D Das, ... ChemPhysChem 24 (18), e202300032, 2023 | | 2023 |
A Brief Review of Density Functional Theory and Solvation Model AK Kushwaha ChemRxiv, 2022 | | 2022 |
Enhancing the electrode potential in Li-ion battery through atomic cluster approach AK Kushwaha Bulletin of the American Physical Society, 2018 | | 2018 |