PhD Candidate


Mike Pols received his Bachelor’s degrees (cum laude) in Applied Physics and Chemical Engineering from Eindhoven University of Technology (TU/e) in 2018. He continued studying at TU/e for his Master’s degrees (cum laude) in Applied Physics and Chemical Engineering which he graduated from in 2021. The work of his Master’s thesis was focused on the development of a reactive force field (ReaxFF) for large-scale molecular dynamics simulations of metal halide perovskites. 

Continuing the line of research set out during his Master’s thesis, Mike joined the group in March 2021 as a doctoral candidate. He aims to develop the reactive force field (ReaxFF) for metal halide perovskites further to study the degradation mechanisms of metal halide perovskites at the atomic scale. For his PhD project, he will collaborate closely with force field experts Sofia Calero (MSM, TU/e) and Adri van Duin (Penn State University, US).

Publications: # equal contribution

  1. S. Raaijmakers, M. Pols, J. M. Vicent-Luna, S. Tao, A Reparameterized Density Functional Tight-Binding Method for Engineering phase-stable CsPbX3 Perovskites, arXiv:2110.15827, 2021.
  2. M. Pols, J.M. Vicent-Luna, I. Filot, A.C.T. van Duin, S. Tao, Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study, J. Phys. Chem. Lett. 12, 5519(2021).
  3. C. Onwudinanti, M. Pols, G. Brocks, V. Koelman, A.C T. van Duin, T. Morgan, S. Tao, A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium — the role of grain boundaries, arXiv:2110.00440, 2021.
  4. H. Xie, Z. Wang, Z. Chen, M. Pols, S. Stranks, S. Tao, M. Grätzel, A. Hagfeldt, M. L. Cantu, et al. Phosphonates immobilize ions under non-equilibrium conditions in highly stable halide perovskite solar cells, Joule, 5, 1246(2021).
  5. Y. Sun#, Y. Yin#, M. Pols#, G. Brocks, X. Wang, L. Wang, J. Wang, S. Tao, W. Huang, et al, Engineering the phases and heterostrcutures of ultrathin hybrid perovskite nanosheets, Advanced Materials, 32, 2002392 (2020).
  6. A. Ligthart, X. de Vries, L. Zhang, M. Pols, P. A. Bobbert, H. van Eersel, R. Coehoorn, Effect of Triplet Confinement on Triplet–Triplet Annihilation in Organic Phosphorescent Host–Guest Systems, Advanced Functional Materials, 28, 1804618 (2018).