| Promoting the Transformation of Li2S2 to Li2S: Significantly Increasing Utilization of Active Materials for High‐Sulfur‐Loading Li–S Batteries X Yang, X Gao, Q Sun, SP Jand, Y Yu, Y Zhao, X Li, K Adair, LY Kuo, ... Advanced materials 31 (25), 1901220, 2019 | 432 | 2019 |
| DRIFTS study of CO adsorption on Pt nanoparticles supported by DFT calculations C Lentz, SP Jand, J Melke, C Roth, P Kaghazchi Journal of Molecular Catalysis A: Chemical 426, 1-9, 2017 | 130 | 2017 |
| Comparative theoretical study of adsorption of lithium polysulfides (Li2Sx) on pristine and defective graphene SP Jand, Y Chen, P Kaghazchi Journal of Power Sources 308, 166-171, 2016 | 92 | 2016 |
| Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries CJ Huang, JH Cheng, WN Su, P Partovi-Azar, LY Kuo, MC Tsai, MH Lin, ... Journal of Power Sources 492, 229508, 2021 | 60 | 2021 |
| Theoretical study of cubic-Li7La3Zr2O12 (001)/LiCoO2 (10–14) interface SP Jand, P Kaghazchi MRS Communications 8 (2), 591-596, 2018 | 19 | 2018 |
| The role of electrostatic effects in determining the structure of LiF-graphene interfaces SP Jand, P Kaghazchi Journal of Physics: Condensed Matter 26 (26), 262001, 2014 | 19 | 2014 |
| Electronic features induced by Stone–Wales defects in zigzag and chiral carbon nanotubes P Partovi-Azar, SP Jand, A Namiranian, H Rafii-Tabar Computational materials science 79, 82-86, 2013 | 19 | 2013 |
| Theoretical study of superionic phase transition in Li2S SP Jand, Q Zhang, P Kaghazchi Scientific reports 7 (1), 5873, 2017 | 18 | 2017 |
| Enhanced autoionization of water at phospholipid interfaces A Mashaghi, P Partovi-Azar, T Jadidi, M Anvari, SP Jand, N Nafari, ... The Journal of Physical Chemistry C 117 (1), 510-514, 2013 | 16 | 2013 |
| Electronic, magnetic, and transport properties of polyacrylonitrile-based carbon nanofibers of various widths: density-functional theory calculations P Partovi-Azar, S Panahian Jand, P Kaghazchi Physical Review Applied 9 (1), 014012, 2018 | 15 | 2018 |
| Roadmap on advancements of the FHI-aims software package JW Abbott, CM Acosta, A Akkoush, A Ambrosetti, V Atalla, A Bagrets, ... arXiv preprint arXiv:2505.00125, 2025 | 12 | 2025 |
| Nuclear quantum effects in fullerene–fullerene aggregation in water S Panahian Jand, Z Nourbakhsh, L Delle Site Frontiers in Chemistry 10, 1072665, 2022 | 4 | 2022 |
| Path Integral Molecular Dynamics of Liquid Water in a Mean‐Field Particle Reservoir A Evangelakis, S Panahian Jand, L Delle Site ChemistryOpen 11 (4), e202100286, 2022 | 4 | 2022 |
| Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach C Carbogno, N Rybin, SP Jand, A Akkoush, CM Acosta, Z Yuan, M Rossi arXiv preprint arXiv:2501.02550, 2025 | 2 | 2025 |
| On the physical consistency of an open quantum region with a classical reservoir in molecular simulation S Panahian Jand, TD Kühne, L Delle Site Advanced Theory and Simulations 7 (11), 2400833, 2024 | 2 | 2024 |
| First Principles Study of Li-based Battery Materials: Electronic Structure, Thermodynamics, and Kinetics SP Jand Freie Universität Berlin, 2018 | 1 | 2018 |
| First Principles Study of Li-based Battery Materials: Electronic Structure, Thermodynamics, and Kinetics S Panahian Jand | | 2018 |
| Theoretical study of superionic phase transition in Li2S S Panahian Jand, Q Zhang, P Kaghazchi | | 2017 |
| Multiskalen-Modellierung von Li-Batterien: Abschlussbericht: Laufzeit des Vorhabens: 01.01. 2012-31.12. 2016-kostenneutral verlängert bis 01.07. 2017, Berichtszeitraum: 01.01 … A Moradabadi, SP Jand, P Kaghazchi Physikalische und Theoretische Chemie, Institut für Chemie und Biochemie …, 2017 | | 2017 |
