PhD candidate


Sofia Apergi received her Master diploma in 2019, from the School of Applied Mathematical and Physical Sciences at the National Technical University of Athens in Greece. Her diploma thesis focused on the computational studies of materials for photovoltaic applications using density functional theory (DFT).

She joined our group in September 2019 and She is currently working on the physics and chemistry of the interfaces between perovskite absorbers and charge transport layers using DFT method.  

Sofia succesfully defensed her thesis in October, 2023, and she is now working a researcher at Thermo Fisher at Eindhoven, the Netherlands.

Publications: * equal contribution

  1. S Apergi, G Brocks, S Tao, Calculating the Circular Dichroism of Chiral Halide Perovskites: A Tight-Binding Approach, Journal of Physical Chemistry Letters 14, 11565-11572 (2023).
  2. S Apergi, G Brocks, S Tao, S. Olthof, Probing the Reactivity of ZnO with Perovskite Precursor, submitted, 2023.
  3. N Ren, P Wang, J Jiang, S. Apergi, S. Tao, X. Zhang, et al, Multifunctional additive CdAc2 for efficient perovskite‐based solar cells, Advanced Materials, 2211806, 1 (2023).
  4. X Zhang, W Qiu, S Apergi, S Singh, P Marchezi, S. Tao. G. Brocks, Y. Kuang, J. Poortmans, Minimizing the Interface-Driven Losses in Inverted Perovskite Solar Cells and Modules, ACS Energy Letters 8, 2532-2542, 2 (2023).
  5. N Li, S Apergi, CCS Chan, Y Jia, F Xie, Q Liang, G Li, KS Wong, G Brocks, S. Tao, N. Zhao, Diammonium‐Mediated Perovskite Film Formation for High‐Luminescence Red Perovskite Light‐Emitting Diodes, Advanced Materials 34 (30), 2202042 16 (2022).
  6. S. Apergi, C. Koch, G. Brocks, S. Olthof, S. Tao, Decomposition of organic perovskite precursors on MoO3: role of halogen and surface defects, ACS Applied Materials & Interfaces, 4 (30), 34208-34219 (2022).
  7. J.M. Vicent-Luna, S. Apergi, S. Tao, Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method, J. Chem. Inf. Model. (2021).
  8. J. Zhang*, R. Li*, S. Apergi*; G. Brocks; Y. Zhao; S. Tao, X. Zhang, et al. Multifunctional molecule engineered SnO2 for perovskite solar cells with high efficiency and reduced lead leakage, Solar RRL(2021).
  9. Y. Guo*, S. Apergi*, N. Li, M. Chen, C. Yin, Z. Yuan, F. Gao, F. Xie, G. Brocks, S. Tao, N. Zhao, Phenylalkylammonium passivation enables perovskite light emitting diodes with record high-radiance operational lifetime: the chain length matters, Nature Communications, 12:644(2021).
  10. S. Apergi, G. Brocks, S. Tao,  Tuning the Electronic Levels of NiO with Alkali Halides Surface Modiers for Perovskite Solar Cells, Physical Review Materials, 4, 085403 (2020).

Full list of publications can be found in her google scholar profile.