In this study, a full-potential density functional theory was used to investigate the effects of Ti substitution by different cations. In both rutile and anatase, Ti atom was replaced by Ce, Au, Sn, Ag, Mo, Nb, Zr, and Y. Phase stability, electronic structure and formation energy of oxygen vacancy were compared for rutile and anatase. The results indicated that substitution of Ce and Zr increas...

Zinc Sulfide (ZnS) thin films were deposited on glass substrates at the pressure of 10-6 mbar by thermal resistor evaporation technique. The effects of annealing on the structural, optical properties of ZnS films were studied. Crystalline ZnS films have been analyzed by X-ray diffraction. Only cubic phase with the preferred (111) plane was found in ZnS films. Optical characteristics were studie...

Graphyne and graphdiyne families of flat carbon (sp2/sp) networks with high degrees of π-conjunction are attracting much attention due to their promising electronic, optical, and mechanical properties. In the present investigation we have studied the structural, mechanical, electrical and optical properties of halogenated graphdiyne and graphyne. The optical spectra of pure and halog...

We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted with metal electrodes and patterned into ribbons of varying widths and different crystallographic orientations. The temperature dependent conductance measurem...

in this research fe-tio2 nanocomposites with different molar ratios of fe/ti were prepared as nano-photocatalyst using a modified sol-gel process at ambient temperature. crystallographic properties of nanocomposites were characterized by x-ray diffraction (xrd). surface morphology and mean particle size of nanocomposites were specified by field emission scanning electron microscopy (fesem) and ...

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies c...

This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with [Formula: see text] in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were ...

in this paper, undopedzno and co-znonano structureswith different molar ratio of cobalt have been synthesized by the sonochemical method. structure have been characterized by fourier transform (ftir) and uv–vis spectroscopy,scanning electron microscopy (sem), energy dispersive analytical x-ray (edax), and x-ray diffraction (xrd) methods. moreover, the direct band gap has been calculated by tauc...