3 papers
physics.chem-ph2025
Redox chemistry meets semiconductor defect physics
Jian Gu, Jun Huang, Jun Cheng
Understanding how the electronic structure of electrodes influences electrocatalytic reactions has been a longstanding topic in the electrochemistry community, with predominant att…
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…
physics.chem-ph2024
Variational functional theory for coulombic correlations in the electric double layer
Nils Bruch, Tobias Binninger, Jun Huang +1
A classical coulombic correlation functional in one-loop (1L) and local-density-approximation (LDA) is derived for electrolyte solutions, starting from a first-principles many-body…