On the adsorption mechanism of caffeine on mapbi 3 perovskite surfaces: A combined umc-dft study

LAR Junior, RM Tromer, RM Dos Santos… - Physical chemistry …, 2021 - pubs.rsc.org
Recently, it was experimentally shown that the performance and thermal stability of the
perovskite MAPbI3 were improved upon the adsorption of a molecular layer of caffeine. In …

[HTML][HTML] Electronic band structures and optical properties of 2D XOF (X= Ga or In) oxyfluoride monolayers using density functional theory and GW approximation

M Barhoumi, S Bouzidi, M Said - Results in Physics, 2023 - Elsevier
The class of two-dimensional oxyfluoride monolayers is currently considered one of the most
attractive nanomaterials for enhancing design and pushing the limits of different cutting …