PhD Candidate


Zehua Chen received his Master’s degree in 2018 from Nankai University in China, with a thesis on the modelling of amorphous silica by using density-functional theory (DFT) and classical molecular dynamics (CMD).

Zehua joined our group in September 2018 and supported by TU/e-DIFFER Storing Solar Energy program, his research focuses on the multiscale computational modelling of perovskite solar cells: from material properties to device performance.

Zehua is now a postdoctoral research at beijing Computational Science Research Center. His full list of publication can be found at google scholar.

Publications: * equal contribution

  1. Z. Chen, H. Xue, G. Brocks, P. Bobbert, S. Tao, Thermodynamic origin of the photostability of the two-dimensional perovskite PEA2Pb(I1–xBrx)4ACS Energy Letters 8, 943-949 (2023).
  2. Z Chen, G Brocks, S Tao, PA Bobbert, Light-tunable three-phase coexistence in mixed halide perovskites, Physical Review B 106 (13), 134110 (2022).
  3. S Kahmann, Z Chen, O Hordiichuk, O Nazarenko, S Shao, MV Kovalenko, S. Tao, M. Loi, Compositional Variation in FAPb1–xSnxI3 and Its Impact on the Electronic Structure: A Combined Density Functional Theory and Experimental Study, Applied Materials & Interfaces 14 (30), 34253-34261(2022).
  4. Z. Chen, G. Brocks, S. Tao, P. A. Bobbert, Unified theory for light-induced halide segregation in mixed halide perovskites, Nature Communications, 12, 2687(2021).
  5. K. Datta, B. T. van Gorkom, Z. Chen, S. Tao, P. A. Bobbert, M. M. Wienk, R. A. J. Janssen, et al. The Effect of Light-Induced Halide Segregation on the performence of Mixed-Halide Perovskite Solar CellsACS Appl. Energy Mater, (2021).
  6. 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)
  7. Q. Li, Z. Chen, I. Tranca, S. Gaastra-Nedea, D. Smeulders and S. Tao, Compositional effect on water adsorption on metal halide perovskites, Applied surface Science, 538, 148058(2021).
  8. N. Li*, Y.  Luo*, Z Chen*, G. Brocks, S. Tao, D. P. Fenning, H. Zhou et al. Microscopic Degradation in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells under Operational Stressors, Joule, 4, 1743 (2020).