| Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells H Xie, Z Wang, Z Chen, C Pereyra, M Pols, K Gałkowski, M Anaya, S Fu, ... Joule 5 (5), 1246-1266, 2021 | 100 | 2021 |
| Effect of triplet confinement on triplet–triplet annihilation in organic phosphorescent host–guest systems A Ligthart, X de Vries, L Zhang, MCWM Pols, PA Bobbert, H van Eersel, ... Advanced Functional Materials 28 (52), 1804618, 2018 | 69 | 2018 |
| Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study M Pols, JM Vicent-Luna, I Filot, ACT Van Duin, S Tao The Journal of Physical Chemistry Letters 12 (23), 5519-5525, 2021 | 38 | 2021 |
| Engineering the phases and heterostructures of ultrathin hybrid perovskite nanosheets Y Sun, Y Yin, M Pols, J Zhong, Z Huang, B Liu, J Liu, W Wang, H Xie, ... Advanced Materials 32 (34), 2002392, 2020 | 32 | 2020 |
| What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI3 M Pols, T Hilpert, IAW Filot, ACT Van Duin, S Calero, S Tao ACS Applied Materials & Interfaces 14 (36), 40841–40850, 2022 | 20 | 2022 |
| How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields M Pols, V Brouwers, S Calero, S Tao Chemical Communications 59 (31), 4660-4663, 2023 | 8 | 2023 |
| The role of sulfur in sulfur-doped copper (I) iodide p-type transparent conductors AS Mirza, M Pols, W Soltanpoor, S Tao, G Brocks, M Morales-Masis Matter 6 (12), 4306-4320, 2023 | 5 | 2023 |
| Over-18%-Efficiency Quasi-2D Ruddlesden–Popper Pb–Sn Mixed Perovskite Solar Cells by Compositional Engineering Z Qin, M Pols, M Qin, J Zhang, H Yan, S Tao, X Lu ACS Energy Letters 8 (7), 3188-3195, 2023 | 5 | 2023 |
| Refined GFN1-xTB Parameters for Engineering Phase-Stable CsPbX3 Perovskites S Raaijmakers, M Pols, JM Vicent-Luna, S Tao The Journal of Physical Chemistry C 126 (22), 9587–9596, 2022 | 4 | 2022 |
| A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium–the role of grain boundaries C Onwudinanti, M Pols, G Brocks, V Koelman, ACT Van Duin, T Morgan, ... The Journal of Physical Chemistry C 126 (13), 5950-5959, 2022 | 3 | 2022 |
| Sulphur-doped Copper (I) Iodide As Record Figure of Merit P-type Transparent Conductor AS Mirza, M Pols, W Soltanpoor, S Tao, G Brocks, M Morales-Masis Available at SSRN 4450373, 2023 | 2 | 2023 |
| Discrete Elemental Distributions inside a Single Mixed-Halide Perovskite Nanocrystal for the Self-Assembly of Multiple Quantum-Light Sources J Liu, C Zhu, M Pols, Z Zhang, F Hu, L Wang, C Zhang, Z Liu, S Tao, ... Nano Letters 23 (21), 10089-10096, 2023 | 1 | 2023 |
| Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations M Pols, ACT van Duin, S Calero, S Tao The Journal of Physical Chemistry C 128 (9), 4111–4118, 2024 | | 2024 |
| Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields M Pols, V Brouwers, S Calero, S Tao Chemical Communications 60, 2816, 2024 | | 2024 |
| How Bromine Stabilizes CsPbI: Atomistic Insights from Reactive Molecular Dynamics Simulations M Pols, ACT van Duin, S Calero, S Tao arXiv preprint arXiv:2309.09588, 2023 | | 2023 |
| Multiscale Modelling of Defects in Halide Perovskites—Implications for the Phase Stability and Degradation Reactions Induced by Thermochemical Stress M Pols, ACT van Duin, S Calero, S Tao | | 2022 |
| A Reactive Force Field for Large Scale Simulations of Metal Halide Perovskites MCWM Pols, S Tao, IAW Filot | | 2021 |
| Triplet-Triplet Annihilation in Organic Light Emitting Diodes M Pols | | 2018 |
Shuxia TaoAssociate Professor, Computational Materials Physics, Eindhoven University of TechnologyVerified email at tue.nl
