| 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 | 172 | 2020 |
| Manganese dissolution from spinel cathode: few unanswered questions A Bhandari, J Bhattacharya Journal of the electrochemical society 164 (2), A106, 2016 | 141 | 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 | 52 | 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 | 44 | 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 | 28 | 2021 |
| 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 | 25 | 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 | 25 | 2020 |
| 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 | 23 | 2021 |
| 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 | 18 | 2022 |
| 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 | 16 | 2018 |
| 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 | 15 | 2020 |
| 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 | 14 | 2019 |
| 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 | 12 | 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 | 12 | 2020 |
| 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 | 6 | 2022 |
| 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 |
| 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 |
| Mechanisms of Li deposition on graphite anodes: surface coverage and cluster growth A Bhandari, J Dziedzic, JR Owen, D Kramer, CK Skylaris Journal of Materials Chemistry A 12 (43), 30073-30081, 2024 | | 2024 |
Jishnu BhattacharyaMechanical Engineering, IIT Kanpur, IndiaVerified email at iitk.ac.in
Denis KramerHelmut-Schmidt-University - Hamburg / Helmholtz Centre HereonVerified email at hsu-hh.de
Jacek DziedzicSenior Research Fellow, University of SouthamptonVerified email at soton.ac.uk
Raj Ganesh S. PalaChemical Engineering and Associate Faculty of Materials Science & Nuclear Engineering ProgrammesVerified email at iitk.ac.in
Chao PengShenzhen Institute of Advanced TechnologyVerified email at siat.ac.cnPrashant Kumar GuptaAssistant Professor. Department of Chemical Engineering, Indian Institute of Technology JodhpurVerified email at iitj.ac.in
Dr. Michael MercerLecturer in Battery Science, Lancaster UniversityVerified email at lancaster.ac.uk
Sulay SahaWashington University in St. LouisVerified email at wustl.edu
Benjamin J. MorganDepartment of Chemistry, University of BathVerified email at bath.ac.uk
Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
Samuel William ColesResearch Associate, Yusuf Hamied Department Of Chemistry, University Of CambridgeVerified email at cam.ac.uk
Lucy M. MorganUniversity of Bath, University of KentVerified email at bath.ac.uk
Harry HosterUniversity Duisburg-EssenVerified email at lancaster.ac.uk
Dr Hui YangImperial College LondonVerified email at imperial.ac.uk
Jacqueline Sophie EdgeImperial College LondonVerified email at imperial.ac.uk
Saiful IslamProfessor of Materials Modelling, University of OxfordVerified email at materials.ox.ac.uk
James C. WomackUniversity of BristolVerified email at bristol.ac.uk
Marjan FamiliResearch Associate, Alan Turing InstituteVerified email at turing.ac.uk
