RESUMEN
The discovery of novel materials for catalytic purposes that are highly stable is one of the main challenges nowadays for reducing our dependence on fossil fuels. Here, low-dimensional PbTiO3 is introduced as an electrocatalyst using first-principles calculations. Density-functional theory calculations indicate that 2D-PbTiO3 is dynamically and thermodynamically stable. Our results show that a single oxygen defect vacancy in 2D-PbTiO3 can play a key role in enhancing the hydrogen evolution reaction (HER), together with the Ti atoms. Our study concludes that the Volmer-Heyrovsky mechanism is a more favorable route to achieve HER than the Volmer-Tafel mechanism, including solvation and vacuum conditions.
RESUMEN
In this study, we theoretically investigate the response of a germanium thin film under femtosecond pulsed laser irradiation. Electron and lattice temperatures, as well as material-specific optical properties such as dielectric function and reflectivity, were calculated during the irradiation using an extended two-temperature model coupled with the carrier density rate equation and the Drude model. Melting and ablation fluence thresholds were also predicted, resulting in 0.14 J cm-2 and 0.35 J cm-2, respectively. An ultrafast change in both optical and thermal properties was detected upon laser irradiation. Results also indicate that thermal melting occurs after germanium takes on a metallic character during irradiation, and that the impact ionization process may have a critical role in the laser-induced thermal effect. Therefore, we suggest that the origin of the thermal modification of germanium surface under femtosecond laser irradiation is mostly due the impact ionization process and that its effect becomes more important when increasing the laser fluence.
RESUMEN
High spatial frequency laser induced periodic surface structure (HSFL) morphology induced by femtosecond laser with 230 fs pulse duration, 250 kHz repetition rate at 1030 nm wavelength on CVD diamond surface is investigated and discussed. The spatial modification was characterized and analyzed by Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM) and 2D-Fast Fourier Transform (2D-FFT). We studied the effect of pulse number and laser power on the spatial development of nanostructures, and also deduced the impact of thermal accumulation effect on their morphology. A generalized plasmonic model has been used to follow the optical evolution of the irradiated surface and to determine the periodic value of the nanostructures. We suggest that non-thermal melting and plasmonic excitation are the main processes responsible for the formation of HSFL-type nanostructures.