Carlos Rodriguez Garcia

Enhancing the Photocatalytic Activity of Sr4Al14O25: Eu2+, Dy3+ Persistent Phosphors by Codoping with Bi3+ Ions

The photocatalytic activity of Bismuth‐codoped Sr4Al14O25: Eu2+, Dy3+ persistent phosphors is studied by monitoring the degradation of the blue methylene dye UV light irradiation. Powder phosphors are obtained by a combustion synthesis method and a postannealing process in reductive atmosphere. The XRD patterns show a single orthorhombic phase Sr4Al14O25: Eu2+, Dy3+, Bi3+ phosphors even at high Bismuth dopant concentrations of 12 mol%, suggesting that Bi ions are well incorporated into the host lattice. SEM micrographs show irregular micrograins with sizes in the range of 0.5–20 μm. The samples present an intense greenish‐blue fluorescence and persistent emissions at 495 nm, attributed to the 5d–4f allowed transitions of Eu2+. The fluorescence decreases as Bi concentration increases; that suggest bismuth‐induced traps formation that in turn quench the luminescence. The photocatalytic evaluation of the powders was studied under both 365 nm UV and solar irradiations. Sample with 12 mol% of Bi presented the best MB degradation activity; 310 min of solar irradiation allow 100% MB degradation, whereas only 62.49% MB degradation is achieved under UV irradiation. Our results suggest that codoping the persistent phosphors with Bi3+ can be an alternative to enhance their photocatalytic activity.

Photocatalytic Activity of LaSr2AlO5:Eu Ceramic Powders

The photocatalytic activity, of undoped and Europium‐doped LaSr2AlO5 powders, has been investigated by degrading methylene blue dye in water solutions. Those powders were fabricated by a combustion method and an annealing treatment in air. All samples showed a tetragonal single phase according to by X‐ray diffraction measurements (XRD). Scanning electron microscopy (SEM) revealed irregular semi‐oval grains with sizes in the range of 3.5–4.27 μm. Photoluminescence spectrum showed sharp emission peaks at 588 nm and at 617 nm which are associated with 7F1,7F2→ 5D0 Eu3+ ion forbidden transitions, respectively, under UV light excitation of 322 nm. The methylene blue (MB) degradation under UV light (254 nm) was studied by monitoring changes in the absorbance peak of MB at 665 nm. Finally, LaSr2AlO5:Eu powders were used three times and the efficiency for the degradation of MB decreased from 100 to 61% after the third cycle of use.

First Principles Calculations of Graphene Doped with Al, P and Si Heteroatoms

In this work, studies of the doping effects on the electronic and structural properties of graphene were performed. Calculations have been done within the periodic density functional theory (DFT) as implemented in PWscf code of the Quantum Espresso Package. Graphene layers have been modeled using the 4x4 periodic supercells. The doping is explored considering phosphorus (P), aluminum (Al) and silicon (Si) heteroatoms. One heteroatom per supercell was considered. Electronic structure results show that the pristine graphene has a linear dispersion at high symmetry K point and zero gap. Band structure of graphene doped with Al atoms exhibit a metal behavior since a valence band crosses the Fermi level. Graphene doped with P also presents a metal behavior but in this case a conduction band crosses the Fermi level. In addition, when the dopant is Si the band structure shows a semiconductor behavior with a 0.3 eV gap. In all cases, the zero gap energy characteristic of graphene was changed by dopant heteroatom. The Dirac lineal dispersion relation is preserved only in the pristine graphene.

Photocatalytic Activity of SrAl 2 O 4 :xCu Powders under Solar Irradiation

Cooper doped SrAl2O4:xCu powders were synthesized by combustion method. The doping concentrations were x= 0.1%, 0.3%, 0.5%, and 1.0 at.%. X-ray diffraction patterns indicate that all Cu doped/undoped powders has monoclinic phase. Also, TEM images show that the size of the nanoparticles decreases as the content of Cu increases. The photocatalytic degradation of Congo red (CR) was studied by monitoring intensity of its characteristic absorbance band centered at 494 nm. The best result was obtained with the 0.1% Cu doped sample, since it degraded 100% of CR after 120 minutes under sunlight excitation. Hence, our results suggest that SrAl2O4:xCu powders could be suitable candidates for photocatalytic degradation of dye pollutants under sunlight.

Ab Initio Study of Aluminum-Phosphorus Co-doped Graphene

In the present work it is studied the phosphorus-aluminum co-doping effect on the electronic and structural graphene properties using ab initio calculations in the framework of DFT (density functional theory). The doping of graphene with substituent heteroatoms can modify the band structures as well as the electron transfer, improving the electronic performance that could enhance the sensing ability in gas sensor devices. The incorporation of heteroatoms in the graphene monolayer alters the unit cell. The alteration degree depends on the dopant concentration. Furthermore, the electronic properties were modified by opening the gap up to 0.61 eV produced by the combination of phosphorus and aluminum as dopants. The dopant concentration can be controlled, which causes different degrees of semiconductor behavior on the co-doped graphene.