2 papers
cond-mat.mtrl-sci2025
Theory of Electro-Ionic Perturbations at Supported Electrocatalyst Nanoparticles
Yufan Zhang, Tobias Binninger, Jun Huang +1
Nanoscopic heterogeneities in composition and structure are quintessential for the properties of electrocatalyst materials. Here, we present a semiclassical model to study the elec…
cond-mat.mtrl-sci2024
Optimization of ionic configurations in battery materials by quantum annealing
Tobias Binninger, Yin-Ying Ting, Piotr M. Kowalski +1
Energy materials with disorder in site occupation are challenging for computational studies due to an exponential scaling of the configuration space. We herein present a grand-cano…