48 citations · 75 across the 15 of their papers we have counts for
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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…
Two-phonon pairing and superconductivity in
Antonio Santacesaria, Cristiano Muzzi, Maria Eleonora Temperini +3
We explore the possibility that the two-phonon pairing mechanism proposed by Ngai can explain superconductivity in doped strontium titanate (STO). The two-phonon deformation potent…
Frequency-dependent electron-phonon coupling and vibrational responses in tight-binding and continuous Dirac models with nuclear velocity correction
Paolo Fachin, Francesco Macheda, Paolo Barone +1
The nuclear motion induces in the electronic atomic orbitals a nuclear-velocity-dependent phase (also known as electron-translation factor), which modifies the effective Hamiltonia…
Non-adiabatic Ehrenfest dynamics with norm-conserving and ultra-soft pseudo-potentials with nuclear velocity corrections on the atomic orbitals within the Projector Augmented Wave Method framework
Paolo Fachin, Francesco Macheda, Paolo Barone +1
We derive the first-principles Ehrenfest molecular dynamics describing non-adiabatic processes with the inclusion of the nuclear-velocity-dependent phases (also known as electron-t…
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…