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cond-mat.mtrl-sci2025★ 15 cited
Peak Broadening in Photoelectron Spectroscopy of Amorphous Polymers: the Leading Role of the Electrostatic Landscape
Laura Galleni, Arne Meulemans, Faegheh S. Sajjadian +8
The broadening in photoelectron spectra of polymers can be attributed to several factors, such as light source spread, spectrometer resolution, finite lifetime of the hole state, a…
cond-mat.mtrl-sci2025
Accurate and Efficient Phonon Calculations in Molecular Crystals via Minimal Molecular Displacements
Lorenzo Soprani, Andrea Giunchi, Marco Bardini +2
Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, th…