20 citations · 38 across the 5 of their papers we have counts for
6 papers · 1 filter
Automated Modeling of Polarons: Defects and Reactivity on TiO(110) Surfaces
Firat Yalcin, Carla Verdi, Viktor C. Birschitzky +3
Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remain…
Machine Learning Small Polaron Dynamics
Viktor C. Birschitzky, Luca Leoni, Michele Reticcioli +1
Polarons are crucial for charge transport in semiconductors, significantly impacting material properties and device performance. The dynamics of small polarons can be investigated…
Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst
Ali Rafsanjani-Abbasi, Florian Buchner, Faith J. Lewis +15
Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powde…
Machine Learning Based Prediction of Polaron-Vacancy Patterns on the TiO(110) Surface
Viktor C. Birschitzky, Igor Sokolovic, Michael Prezzi +5
The multifaceted physics of oxides is shaped by their composition and the presence of defects, which are often accompanied by the formation of polarons. The simultaneous presence o…
Automated Real-Space Lattice Extraction for Atomic Force Microscopy Images
Marco Corrias, Lorenzo Papa, Igor Sokolović +7
Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amo…
Machine Learning for Exploring Small Polaron Configurational Space
Viktor C. Birschitzky, Florian Ellinger, Ulrike Diebold +2
Polaron defects are ubiquitous in materials and play an important role in many processes involving carrier mobility, charge transfer and surface reactivity. Determining the spatial…