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cond-mat.mtrl-sci2025
Impact of electron-phonon interaction on the electronic structure of interfaces between organic molecules and a MoS monolayer
Ignacio Gonzalez Oliva, Sebastian Tillack, Fabio Caruso +2
By means of first-principles calculations, we investigate the role of electron-phonon interaction in the electronic structure of hybrid interfaces, formed by MoS and monolayers…
cond-mat.mtrl-sci2025
Efficient and BSE calculations of heterostructures within an all-electron framework
Maximilian Schebek, Ignacio Gonzalez Oliva, Claudia Draxl
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing ele…