4 papers
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…
Energy dependent Chemical Interface Damping induced by 1-Decanethiol Self-Assembled Monolayer on Au(111)
Maurice Pfeiffer, Gregor B. Vonbun-Feldbauer, Jacob B. Khurgin +5
The chemical interface damping (CID) effect increases the collision frequency of free electrons in metals by changes of the metal surface. We have now experimentally disentangled t…
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…
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…