Julia Wiktor
Showing 46 publications
Detection and identification of vacancy defects in antimony selenide
Exploring the Polaron Landscape in Germanium Halide Perovskites: CsGeCl3, CsGeBr3, and CsGeI3
Competing Self-Trapped Exciton States and Multiple Emission Pathways in BiVO4
Optical line shapes of color centers in solids from classical autocorrelation functions
Charge localization in optoelectronic and photocatalytic applications: Computational perspective
Revealing the Low-Temperature Phase of FAPbI3 Using a Machine-Learned Potential
Ultranarrow Semiconductor WS<sub>2</sub> Nanoribbon Field-Effect Transistors
Direct, Indirect, and Self-Trapped Excitons in Cs<inf>2</inf>AgBiBr<inf>6</inf>
Electron Localization and Mobility in Monolayer Fullerene Networks
Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO<inf>4</inf>
All-2D CVD-grown semiconductor field-effect transistors with van der Waals graphene contacts
Impact of Organic Spacers and Dimensionality on Templating of Halide Perovskites
Phase Transitions in Inorganic Halide Perovskites from Machine-Learned Potentials
Quantifying Dynamic Tilting in Halide Perovskites: Chemical Trends and Local Correlations
Charge Localization in Acene Crystals from Ab Initio Electronic Structure
Strong electron-phonon coupling and bipolarons in Sb2S3
Ab Initio Insights into Charge Localization in Bismuth Oxyhalides BiOX (X = F, Cl, Br, I)
Two-dimensional MoTe2/SnSe2 van der Waals heterostructures for tunnel-FET applications
Reaction Mechanism of Photocatalytic Hydrogen Production at Water/Tin Halide Perovskite Interfaces
Atomic-Level Description of Thermal Fluctuations in Inorganic Lead Halide Perovskites
Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction
Charge Localization in Defective BiVO<inf>4</inf>
Influence of Oxygen Vacancies on the Structure of BiVO<inf>4</inf>
Strong Electron Localization in Tin Halide Perovskites
Identification of lead vacancy defects in lead halide perovskites
Polaron formation and hopping in tantalate perovskite oxides: NaTaO3 and KTaO3
Small Electron Polarons in CsPbBr₃: Competition between Electron Localization and Delocalization
ABINIT: Overview and focus on selected capabilities
Finite-size corrections of defect energy levels involving ionic polarization
Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites
Strong Hole Trapping Due to Oxygen Dimers in BiVO4: Effect on the Water Oxidation Reaction
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Showing 5 research projects
From Atoms to Devices: Understanding Interfaces Phenomena for Better Perovskite Optoelectronics
Harnessing Localized Charges for Advancing Polar Materials Engineering (POLARISE)
Ab Initio Description of Complete Semiconductor Devices
Phase behavior and electronic properties of mixed halide perovskites from atomic scale simulations
Atomistic Design of Photoabsorbing Materials