Green material: ecological importance of imperative and sensitive chemi-sensor based on Ag/Ag2O3/ZnO composite nanorods.

In this report, we illustrate a simple, easy, and low-temperature growth of Ag/Ag2O3/ZnO composite nanorods with high purity and crystallinity. The composite nanorods were structurally characterized by field emission scanning electron microscopy, X-ray powder diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy which confirmed that synthesized product have rod-like morphology having an average cross section of approximately 300 nm. Nanorods are made of silver, silver oxide, and zinc oxide and are optically active having absorption band at 375 nm.

Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: a first principles study.

We have modeled multifunctional compounds by pi-elongation and push-pull strategy from the 4,6-di(thiophen-2-yl)pyrimidine. The ground state geometries have been optimized by density functional theory while excited state geometries were optimized by time dependent density functional theory (TDDFT). Structure-property relationship, electronic, optical and charge transfer properties (ionization potential, electron affinity and reorganization energies) were computed and discussed.