Density functional theory has been applied to investigate the effect of electric field on the electronic properties of AgCl and AgBr crystals using a static electric field perturbation. This is our proposed model for the study of plasmonc near field coupling to the electronic states of the photocatalytic semiconductors. A reduction in the band gap value and widening of the band widths are observed with increase in the macroscopic field value indicating a considerable red shift in the absorption spectrum of AgCl and AgBr in the presence of an external electric field. The breakdown strength of AgCl and AgBr crystal is evaluated using Callen’s equation. The results are well in the agreement between the calculated dielectric strength and the available experimental datum.
COBISS.SI-ID: 26033191
In our work we investigated the series of metallic adatoms such as Mn, Fe, Co, and Ni adatoms on the Ag (100) surface and explain their excitation spectra. To explain the measured valence band spectra, we performed first principles calculations and we used the theoretical results to understand how the Hund’s exchange controls the physics of 3d adatoms on the surfaces of Ag (100).
COBISS.SI-ID: 2741755
We report the photoelectrochemical performance of textured porous ZnO and CdX coated ZnO films (X = S, Se).To increase the light-harvesting efficiency, we sensitized these ZnO electrodes with CdS and CdSe quantum dots, using the SILAR method. Quantum efficiency values as high as 90% were achieved with the textured porous ZnO films. These results demonstrate that both CdS and CdSe-sensitized textured porous ZnO electrodes could be potentially useful materials in light-harvesting applications.
COBISS.SI-ID: 2740219
BiFeNbO pyrochlore nanoparticles were synthesized by a facile coprecipitation reaction. We have demonstrated that visible light can generate a significant amount of excitons in BiFeNbO, the excitons can dissociate and diffuse to the surface where they can perform a chemical reaction. The nanoparticles exhibit intensive visiblelight absorption due to a narrow band gap and high visible light photocatalytic activity for degradation of methyl orange
COBISS.SI-ID: 3046395
It is renowned that the oil refineries are venting off 15–20% H2S and hardly 5% has been utilized to produce sulphur by the Claus process. This process is uneconomical, highly polluting and byproducts create further acute environmental problems. Here, we have demonstrated the conversion of poisonous H2S into H2 and sulphur by stable orthorhombic CdS quantum dots deposited on GeO2 glass nanosystems using a most abundant solar light energy source. This is an ecofriendly process that produces cheaper hydrogen as well as degrades organic dyes efficiently. Surprisingly, the CdS quantum dots obtained in the glass matrix are orthorhombic in structure and highly thermally stable. Such nanocomposites have great significance because they have potential applications in solar cell, LED and other optoelectronic devices.
COBISS.SI-ID: 2242811