RESUMEN
Hydrogen storage and release are two essential parameters that define the efficiency of a hydrogen storage medium. Herein, we investigate the effects of the external electric field F on the adsorption-desorption of H2 on a Ca-decorated silicene system (Ca-silicene) based on density functional theory calculations. Our study demonstrates that nine H2 molecules per Ca atom can be adsorbed and 6.4 wt% H2 can be adsorbed on Ca-silicene with an average binding energy of 0.19 eV per H2, while the appropriate F can be used to effectively enhance the hydrogen storage-release on the Ca-silicene system. The high synergetic effect may be attributed to the observation that F induces an enhancement of the charge transfer between H2 molecules and the Ca-silicene system. Thus, the Ca-silicene system together with the synergy of F can efficiently facilitate H2 adsorption-desorption, completing the whole hydrogen storage-release cycle.
RESUMEN
Graphene quantum dots (GQDs) can be highly beneficial in various fields due to their unique properties, such as having an effective charge transfer and quantum confinement. However, defects on GQDs hinder these properties, and only a few studies have reported fabricating high-quality GQDs with high crystallinity and few impurities. In this study, we present a novel yet simple approach to synthesizing high-quality GQDs that involves annealing silicon carbide (SiC) under low vacuum while introducing hydrogen (H) etching gas; no harmful chemicals are required in the process. The fabricated GQDs are composed of a few graphene layers and possess high crystallinity, few defects and high purity, while being free from oxygen functional groups. The edges of the GQDs are hydrogen-terminated. High-quality GQDs form on the etched SiC when the etching rates of Si and C atoms are monitored. The size of the fabricated GQDs and the surface morphology of SiC can be altered by changing the operating conditions. Collectively, a novel route to high-quality GQDs will be highly applicable in fields involving sensors and detectors.
RESUMEN
Silicon (Si) nanostructures that exhibit a significantly low reflectance in ultraviolet (UV) and visible light wavelength regions are fabricated using a hydrogen etching process. The fabricated Si nanostructures have aperiodic subwavelength structures with pyramid-like morphologies. The detailed morphologies of the nanostructures can be controlled by changing the etching condition. The nanostructured Si exhibited much more reduced reflectance than a flat Si surface: an average reflectance of the nanostructured Si was approximately 6.8% in visible light region and a slight high reflectance of approximately 17% in UV region. The reflectance was further reduced in both UV and visible light region through the deposition of a poly(dimethylsiloxane) layer with a rough surface on the Si nanostructure: the reflectance can be decreased down to 2.5%. The enhancement of the antireflection properties was analyzed with a finite difference time domain simulation method.
RESUMEN
Using density functional theory calculations, we have investigated the effects of biaxial tensile strain on the electronic and magnetic properties of partially hydrogenated graphene (PHG) structures. Our study demonstrates that PHG configuration with hexagon vacancies is more energetically favorable than several other types of PHG configurations. In addition, an appropriate biaxial tensile strain can effectively tune the band gap and magnetism of the hydrogenated graphene. The band gap and magnetism of such configurations can be continuously increased when the magnitude of the biaxial tensile strain is increased. This fact that both the band gap and magnetism of partially hydrogenated graphene can be tuned by applying biaxial tensile strain provides a new pathway for the applications of graphene to electronics and photonics.
RESUMEN
Graphene can be synthesized from polyacrylonitrile (PAN) polymer through pyrolysis. A metal catalyst such as nickel (Ni) is required for the conversion of the polymer to graphene. The metal catalysts can be placed either atop or underneath the polymer precursor. We observed that spatially non-uniform and disconnected graphene was fabricated when PAN film coated with a Ni layer was pyrolyzed, resulting in flake-like graphene. Formation of the flake-like graphene is attributed to the dewetting of the Ni layer coated on the PAN film. Dewetting phenomenon can be reduced by decreasing the pyrolysis temperature, and hence, more uniform graphene could be prepared. The effects of Ni coating thickness and the pyrolysis temperature on the fabricated graphene have been experimentally analyzed.