3 papers
cond-mat.stat-mech2025
Classical theory of electron-ion correlations at electrochemical interfaces: Closing the circuit from double-layer charging to ion adsorption
Nils Bruch, Michael Eikerling, Tobias Binninger
The electric double layer (EDL) that forms at the interface between metals and ionic solutions is at the heart of various energy technologies. Recent experimental data have challen…
cond-mat.mtrl-sci2025
Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer
Tobias Binninger, Yin-Ying Ting, Konstantin Köster +4
The rapid evolution of quantum computing hardware opens up new avenues in the simulation of energy materials. Today's quantum annealers are able to tackle complex combinatorial opt…
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…