Using DFTB to Model Photocatalytic Anatase–Rutile TiO₂ Nanocrystalline Interfaces and Their Band Alignment

Quasiparticle Level Alignment for Photocatalytic Interfaces.

Electronic level alignment at the interface between an adsorbed molecular layer and a semiconducting substrate determines the activity and efficiency of many photocatalytic materials. Standard density functional theory (DFT)-based methods have proven unable to provide a quantitative description of this level alignment. This requires a proper treatment of the anisotropic screening, necessitating...

Band alignment at metal/organic and metal/oxide/organic interfaces

Charge injection at metal/organic interfaces dictates the performance, lifetime, and stability of organic electronic devices. We demonstrate that interface dipole theory, originally developed to describe Schottky contacts at metal/semiconductor interfaces, can also accurately describe the injection barriers in real organic electronic devices. It is found that theoretically predicted hole inject...

Evolution of the band alignment at polar oxide interfaces

Illumination Invariant Face Alignment Using Multi-band Active Appearance Model

In this study, we present a new multi-band image representation for improving AAM segmentation accuracy for illumination invariant face alignment. AAM is known to be very sensitive to the illumination variations. We have shown that edges, originating from object boundaries are far less susceptible to illumination changes. Here, we propose a contour selector which mostly collects contours origin...

Chapter III Bacteria Mediated Synthesis of Nanocrystalline TiO2 and ZnO and their Photocatalytic Applications

TiO2 and ZnO nanoparticles are probably the first ones that have gained entrance to the market for their photocatalytic and UV-absorbent properties. As large volumes of these nanoparticles are required by the industry, the search for environmentally gentle processes for the synthesis of the same is also growing strong. Continuing our quest with the microorganism based synthesis of nanomaterials...