16 citations · 27 across the 14 of their papers we have counts for
10 papers · 1 filter
Unified description of exciton, phonon and plasmon dispersions in 2D materials from an optical conductivity approximation
Alberto Guandalini, Andrea Ferretti, Daniele Varsano +2
The modified Coulomb interaction in two-dimensional (2D) materials gives rise to unique, non-analytic low-momentum dispersions of excitons, phonons, and plasmons. Here, we describe…
Interfacial properties of MoS2 thin films grown on functional substrates
Hafiz Sami Ur Rehman, Nunzia Coppola, Alice Galdi +8
Interface chemistry and defect formation in MoS2 thin films grown on single crystal substrates critically determine the electronic structure of MoS2 and thus can strongly modify ma…
Substrate induced optimization of the Electrocatalytic Hydrogen Evolution Reaction (HER) performances of MoS2 thin film
Hafiz Sami-Ur-Rehman, Arpana Singh, Nunzia Coppola +11
Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic prop…
Spin-dependent anisotropic electron-phonon coupling in KTaO
Giulia Venditti, Francesco Macheda, Paolo Barone +2
KTaO (KTO) is an incipient ferroelectric, characterized by a softening of the lowest transverse optical (TO) mode with decreasing temperature. Cooper pairing in the recently di…
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…
How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces
Adrián Gómez Pueyo, Jazmín Aragón Sánchez, Ilya Degtev +11
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the…