3 papers
physics.chem-ph2026
Microscopic Structure and Dynamics of Interfacial Water at Fluorinated vs Nonfluorinated Surfaces -- Insights from Ab-Initio Simulations and IR Spectroscopy
Maximilian R. Becker, Ruben Cruz, Kenichi Ataka +2
Per- and polyfluoroalkyl substances are a class of synthetic chemical compounds widely used as coatings to lower surface energies. Yet the microscopic mechanisms of their weak inte…
cond-mat.stat-mech2026
Beyond the Electric Dipole Approximation: Electric and Magnetic Multipole Contributions Reveal Biaxial Water Structure from SFG Spectra at the Air-Water Interface
Louis Lehmann, Maximilian R. Becker, Lucas Tepper +4
The interpretation of sum-frequency-generation (SFG) spectra has been severely limited by the absence of quantitative theoretical predictions of higher-order multipole contribution…
cond-mat.soft2025
Dielectric properties of aqueous electrolytes at the nanoscale
Maximilian R. Becker, Philip Loche, Douwe Jan Bonthuis +3
Despite the ubiquity of aqueous electrolytes, the effect of salt on water organization remains controversial. We introduce a nonlocal and nonlinear field theory for the nanoscale p…