3 citations · 6 across the 10 of their papers we have counts for
4 papers · 1 filter
Evaluating covalency using RIXS spectral weights: Silver fluorides vs. cuprates
Ilya Degtev, Daniel Jezierski, Adrián Gómez Pueyo +9
We investigate the electronic structure of AgF2, AgFBF4, AgF and Ag2O using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the Ag L3 edge. XA…
Chemical capacitor: its concept, functionalities and limits
Łukasz Wolański, Dawid Ciszewski, Piotr Szkudlarek +2
We use density functional theory calculations to study simple but diverse stoichiometries within the novel chemical capacitor (CC) setup. We look at main effects occurring in this…
Magnetic interactions as a pivotal determinant in stabilizing a novel AgIIAgIIIF5 polymorph with high spin AgIII
Daniel Jezierski, Wojciech Grochala
Based on theoretical calculations, we introduce a new AgIIAgIIIF5 monoclinic polymorph with a rare high spin AgIII. Our analysis of the experimental xray diffraction data available…
Theoretical limits of electron and hole doping in single layer graphene from DFT calculations
Dawid Ciszewski, Wojciech Grochala
Density functional theory calculations suggest a pronounced hole electron doping asymmetry in a single layer graphene. It turns out that a single graphene sheet can sustain doping…