Calculation of Photo-Ionisation Cross Sections and Radiative Recombination Rate Coefficients for CO and CO+ Molecules

A method based upon the weighted total cross section （WTCS） theory is proposed to calculate the photo-ionisation cross sections and the radiative recombination rate coefficients between the fundamental level of CO and the main electronic states of its corresponding ion. Total photo-ionisation cross sections and radiative recombination rate coefficients are determined from the calculation of elementary vibrational photo-ionisation cross sections. Transitions be- tween CO＋（X, A and B） and CO（X） are considered. Total photo-ionisation cross sections and recombination coefficients are computed in the temperature interval 500-15000 K.     

Effect of Au ions on structural,optical, magnetic,dielectric, and antibacterial properties of TiO2 dip-coated thin films

Physical properties of the TiO₂ and Au-doped TiO₂ films fabricated by sol–gel dip-coating route are investigated. The diffraction peaks of XRD spectra confirmed the formation of anatase phase. Crystallite size was found to be decreased by increasing dopant concentration from 12.02 to 10.10 nm. All the thin films annealed in air exhibit significant room-temperature ferromagnetism displaying anatase phase that can be employed in spintronic devices. The saturation magnetization increases from 6.8 to 10.35 emu/cm³ with the increase in Au concentration. The coercivity values vary between 360.82 and 478.515 Oe and remnant magnetization ranges between 0.46 and 0.71 emu/cm³. Dielectric parameters obeyed Maxwell-Wagner model and Koop’s theory and were explained by hopping mechanism. Small values of dielectric constant made them favorable for high-frequency devices. The band gaps of the undoped and Au-doped TiO₂ thin films is in the range 3.5 to 3.38 eV, which are lesser than those of reported pure TiO₂ (3.7 eV) that is favorable for enhancing solar cells efficiency. Au-doped TiO₂ leads to an optimum antimicrobial agent. The photocatalysts having 5 wt% Au exhibit the highest photoactivities. The degradation of methylene blue under sunlight made them promising materials for water treatment.