7 citations · 15 across the 6 of their papers we have counts for
6 papers
Revealing the Role of Confined Molecular H in the Passivation of Defective Silicon Using First-Principles Simulations
Hania Azzam, Tobias Binninger, Benedikt Fischer +2
The passivation of silicon dangling bonds by hydrogen is a crucial requirement for silicon-based optoelectronic technology, especially for solar cells. Recent experiments on intens…
Molecular dynamics simulations of Nafion thin films at a platinum catalyst surface: Correlating structure with charging behaviour
Dustin Vivod, Binny A. Davis, Tobias Binninger +1
Electrocatalysis is greatly influenced by the local reaction environment, which is governed by the structure of the catalyst, the distribution of the electrolyte, and the local ele…
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…
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…
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…
Optimization of Coulomb Energies in Gigantic Configurational Spaces of Multi-Element Ionic Crystals
Konstantin Köster, Tobias Binninger, Payam Kaghazchi
Most of the novel energy materials contain multiple elements occupying a single site in their lattice. The exceedingly large configurational space of these materials imposes challe…