 |
Assistant Professor
Department of Physics
Devision of Materials and Surface Theory
|
Email: julia.wiktor@chalmers.se
Phone: +46 31 772 8424
Office: Origo building, room 7112A
|
Research focus:
Electronic structure and atomic-scale modelling of materials for solar energy applications. Comprehensive modeling of band gaps, optical spectra, and defect and polaronic properties.
Theoretical methods:
Density functional theory and beyond (e.g. hybrid functionals, GW method), molecular dynamics simulations, defect and interface calculations.
Focus of future research:
● Application of 2D materials in solar devices
● Interfaces between 3D semiconductors and 2D materials
● Temperature effects in 2D materials
Highlights of previous research:
Absolute deformation potentials of two-dimensional materials
Julia Wiktor and Alfredo Pasquarello
Phys. Rev. B 94, 245411 (2016)
Predictive Determination of Band Gaps of Inorganic Halide Perovskites
Julia Wiktor, Ursula Rothlisberger, Alfredo Pasquarello
J. Phys. Chem. Lett. 8, 5507 (2017)