UV-enhanced NO2 sensor using ZnO quantum dots sensitized SnO2 porous nanowires

ZnO quantum dots sensitized SnO2 porous nanowires were fabricated and designed for UV excitation gas sensor. The ZnO/SnO2 composite (SZQ1%) with the molar proportion of 1:100 exhibits excellent sensing properties to NO2 gas under UV irradiation at 40oC. The humidity stability of SZQ1% was also measured and discussed by DC reversed circuit and complex impedance curves. The gas sensing mechanism is well discussed and illustrated to the ZnO quantum dots sensitized and the increased photo-generated carriers under UV irradiation.

The sensing mechanism of a flavone-based ESIPT fluorescent chemodosimeter for selective recognition towards fluoride: a theoretical

The sensing mechanism of 3-hydroxyflavone-based (3-HF) fluorescent chemodosimeter 3-triisopropylsilylflavone (3-TPSF) for detecting fluoride (F−) has been theoretically investigated.

Inclusive DFT Insight into Sensing Mechanism of Cyclotetrapyrole Towards Lung Irritants

The development of smart sensing devices for toxic analytes detection especially lung irritants is much essential. The cyclic conducting polymers having infinite 𝜋-conjugation are proved to be highly sensitive for toxic analytes. Herein, by using the DFT approach, we investigated the sensing mechanism of cyclotetrapyrole (CTPy) for accurate detection of phosgene, diphosgene, chloropicrin and chlorine at the B3LYP-D3/6-31+ G (d, p) level. The calculated interaction energies show the physisorption of lungs irritants over the CTPy surface. Natural bond orbital (NBO) and charge decomposition (CDA) analyses predict charge transfer interactions in the complexes. The reduced density gradient (RDG) approach reveals that charge transfer electrostatic hydrogen bonding interactions dominate in the complexes. The sensitivity of CTPy towards lung irritants is further illustrated by the reduction in HOMO-LUMO energy gaps, red shifting of \({{\lambda }}_{\text{m}\text{a}\text{x}}\) in UV–Visible specta. Density of state (DOS) analysis affirm that enhanced conductivity upon complexation is due to the origination of new energy states in occupied and virtual orbitals nearer to the Fermi level. Moreover, PDOS spectra show that CTPy primarily contributes to the energy of HOMO. The outcome of the current study depicts appreciable sensitivity of CTPy towards lung irritants. We believe that the upshot of the current findings and their forecasts will provide useful guidelines for an experimentalist to design highly sensitive sensors for toxic analytes using CTPy.