3 papers
cond-mat.mtrl-sci2025
Oxidation State Dynamics and Emerging Patterns in Magnetite
Emre Gürsoy, Gregor B. Vonbun-Feldbauer, Robert H. MeiÃner
Magnetite is an important mineral with many interesting applications related to its magnetic, electrical and thermal properties. Typically studied by electronic structure calculati…
cond-mat.mtrl-sci2025
Defect migration in supercrystalline nanocomposites
Dmitry Lapkin, Cong Yan, Emre Gürsoy +18
Supercrystalline nanocomposites (SCNCs) are nanostructured hybrid materials with unique emergent functional properties. Given their periodically arranged building blocks, they also…
cond-mat.mtrl-sci2025
Atomistic modeling of functionalized magnetite surfaces with oxidation states
Emre Gürsoy, Robert H. MeiÃner, Gregor B. Vonbun-Feldbauer
Understanding the atomic structure of magnetite-carboxylic acid interfaces is crucial for tailoring nanocomposites involving this interface. We present a Monte Carlo (MC)-based met…