Photocatalytic degradation of methylene blue by TiO/NdO composite thin films.

To improve the photocatalytic property of TiO thin films, the composite thin films of TiO/NdO structure were fabricated by electron-beam physical vapor deposition method, and the photocatalytic property of the fabricated films was experimentally studied in the present work. The XRD and Raman analyses show that the TiO/NdO films are mainly hexagonal crystalline phase of NdO. The XPS analysis for the chemical state changes of Ti, O and Nd of the basic elements in the films is confirming the electron flow in the internal electric field which generated in the TiO/NdO films.

First Principles Calculation for Photocatalytic Activity of GaAs Monolayer.

Solar energy hydrogen production is one of the best solutions for energy crisis. Therefore, finding effective photocatalytic materials that are able to split water under the sunlight is a hot topic in the present research fields. In addition, theoretical prediction is a present low-cost important method to search a new kind of materials.

Theoretical investigation on the promotion of second harmonic generation from chalcopyrite family AGaS to AGaS.

The chalcopyrite structure is a rich source for the exploration of new IR materials. However, not all of the compounds with a chalcopyrite-type structure exhibit satisfactory optical properties, which may originate from their different microstructure features. In this work, we selected four classical chalcopyrite materials, AGaS (A = Ag, Cu) with normal structures and AGaS (A = Zn, Hg) with defect structures, to study their electronic structures, optical properties including the contribution of ions and ion groups to their band gaps, SHG responses and birefringences by the first-principles method.