| The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 2020 | 133 | 2020 |
| Manganese dissolution from spinel cathode: few unanswered questions A Bhandari, J Bhattacharya Journal of the electrochemical society 164 (2), A106, 2016 | 126 | 2016 |
| Modulating Oxygen Evolution Reactivity in MnO2 through Polymorphic Engineering PK Gupta, A Bhandari, S Saha, J Bhattacharya, RGS Pala The Journal of Physical Chemistry C 123 (36), 22345-22357, 2019 | 43 | 2019 |
| Origin of Fast Ion Conduction in Li10GeP2S12, a Superionic Conductor A Bhandari, J Bhattacharya The Journal of Physical Chemistry C 120 (51), 29002-29010, 2016 | 37 | 2016 |
| Pushing the boundaries of lithium battery research with atomistic modelling on different scales LM Morgan, MP Mercer, A Bhandari, C Peng, MM Islam, H Yang, ... Progress in Energy 4 (1), 012002, 2021 | 21 | 2021 |
| Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theory J Dziedzic, A Bhandari, L Anton, C Peng, JC Womack, M Famili, D Kramer, ... The Journal of Physical Chemistry C 124 (14), 7860-7872, 2020 | 21 | 2020 |
| Electrochemistry from first-principles in the grand canonical ensemble A Bhandari, C Peng, J Dziedzic, L Anton, JR Owen, D Kramer, ... The Journal of Chemical Physics 155 (2), 2021 | 15 | 2021 |
| Mechanism of Li nucleation at graphite anodes and mitigation strategies C Peng, A Bhandari, J Dziedzic, JR Owen, CK Skylaris, D Kramer Journal of Materials Chemistry A 9 (31), 16798-16804, 2021 | 15 | 2021 |
| Adsorption Preference of HF over Ethylene Carbonate Leads to Dominant Presence of Fluoride Products in LiFePO4 Cathode–Electrolyte Interface in Li-Ion Batteries A Bhandari, J Bhattacharya, RGS Pala The Journal of Physical Chemistry C 124 (17), 9170-9177, 2020 | 13 | 2020 |
| Li nucleation on the graphite anode under potential control in Li-ion batteries A Bhandari, C Peng, J Dziedzic, JR Owen, D Kramer, CK Skylaris Journal of Materials Chemistry A 10 (21), 11426-11436, 2022 | 12 | 2022 |
| Higher energy barrier for interfacial Li-ion transfer from EC/LiPF6 electrolyte into (010) LiFePO4 cathode surface than bulk Li-ion diffusion within both cathode and electrolyte A Bhandari, PK Gupta, J Bhattacharya, RGS Pala Journal of The Electrochemical Society 166 (13), A2966, 2019 | 12 | 2019 |
| Correlating Voltage Profile to Molecular Transformations in Ramsdellite MnO2 and Its Implication for Polymorph Engineering of Lithium Ion Battery Cathodes PK Gupta, A Bhandari, J Bhattacharya, RGS Pala The Journal of Physical Chemistry C 122 (22), 11689-11700, 2018 | 12 | 2018 |
| Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces A Bhandari, L Anton, J Dziedzic, C Peng, D Kramer, CK Skylaris The Journal of Chemical Physics 153 (12), 2020 | 10 | 2020 |
| Higher voltage, wider voltage plateau, longer cycle life, and faster kinetics via thermally modulated interfaces between Ramsdellite and Pyrolusite MnO2 for lithium-ion battery … PK Gupta, A Bhandari, J Bhattacharya, RGS Pala Journal of Power Sources 450, 227619, 2020 | 7 | 2020 |
| Discovery of new ground state structures for Li4Mn2O5 and V2O5 from first principles A Bhandari, P Jindal, J Bhattacharya Computational Materials Science 159, 454-459, 2019 | 6 | 2019 |
| Ab initio study of lithium intercalation into a graphite nanoparticle J Holland, A Bhandari, D Kramer, V Milman, F Hanke, CK Skylaris Materials Advances 3 (23), 8469-8484, 2022 | 2 | 2022 |
| Alloying with Ge and Hollowing Reduces Lithiation-Induced Stresses in Si Nanopillar Anodes A Bansal, A Bhandari, P Chakraborty, J Bhattacharya, RGS Pala Journal of The Electrochemical Society 167 (1), 013542, 2020 | 2 | 2020 |
| ONETEP solvent and electrolyte model J Dziedzic, JC Womack, A Bhandari, G Bramley | 1 | 2020 |
| DENSITY FUNCTIONAL TIGHT BINDING (DFTB) A Bhandari, J Dziedzic, CK Skylaris ONETEP Documentation, 273, 2024 | | 2024 |
| A Workflow for Identifying Viable Crystal Structures with Partially Occupied Sites Applied to the Solid Electrolyte Cubic Li7La3Zr2O12 J Holland, T Demeyere, A Bhandari, F Hanke, V Milman, CK Skylaris The Journal of Physical Chemistry Letters, 2023 | | 2023 |
Jishnu BhattacharyaMechanical Engineering, IIT Kanpur, IndiaVerified email at iitk.ac.in
