529 citations · 584 across the 5 of their papers we have counts for
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Exciton ground state fine structure and excited states landscape in layered halide perovskites from combined BSE simulations and symmetry analysis
Claudio Quarti, Giacomo Giorgi, Claudine Katan +2
Layered halide perovskites are solution-processed natural heterostructures where quantum and dielectric confinement effects down to the nanoscale strongly influence the optical pro…
First-Principles Calculations of Exciton Radiative Lifetimes in Monolayer Graphitic Carbon Nitride Nanosheets: Implications for Photocatalysis
Michele Re Fiorentin, Francesca Risplendi, Maurizia Palummo +1
In this work, we report on the exciton radiative lifetimes of graphitic carbon nitride monolayers in the triazine- (gCN-t) and heptazine-based (gCN-h) forms, as obt…
Spinorial formulation of the GW-BSE equations and spin properties of excitons in 2D Transition Metal Dichalcogenides
Margherita Marsili, Alejandro Molina-Sánchez, Maurizia Palummo +2
In many paradigmatic materials, like Transition Metal Dichalcogenides, the role played by the spin degrees of freedom is as important as the one played by the electron-electron int…
Spatially indirect excitons in black and blue phosphorene double layers
Michele Re Fiorentin, Giancarlo Cicero, Maurizia Palummo
Monolayer black and blue phosphorenes possess electronic and optical properties that result in unique features when the two materials are stacked. We devise a low-strain van-der-Wa…
Precise Radiative Lifetimes in Bulk Crystals from First Principles: The Case of Wurtzite GaN
Vatsal A. Jhalani, Hsiao-Yi Chen, Maurizia Palummo +1
Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately…
How strong is the Second Harmonic Generation in single-layer monochalcogenides? A response from first-principles real-time simulations
Claudio Attaccalite, Maurizia Palummo, Elena Cannuccia +1
Second Harmonic Generation (SHG) of single-layer monochalcogenides, such as GaSe and InSe, has been recently reported [2D Mater. 5 (2018) 025019; J. Am. Chem. Soc. 2015, 137, 79947…