Naphthalene appended diketopyrrolopyrrole derivatives functionalized on ZnO nanostructures: An investigation on gas adsorption induced surface potential changes at room temperature

First-Principles Density Functional Theory Calculations on the Potential of Sc2CO2 MXene Nanosheets as a Dual-Mode Sensor for Detection of Volatile Organic Compounds in Exhaled Human Breath

“…In the case of sensors, DFT investigations help to understand host–guest interactions via the electronic properties analysis. In most of our previous studies, both experimental and theoretical results have agreed with each other. ,,,− Therefore, we believe that our results obtained through single VOC interaction with the ideal Sc 2 CO 2 system will assist the experimentalist in fine-tuning the sensor operation. Moreover, a recent report has highlighted that the formation enthalpy of 2D Sc 2 C (−0.144 eV/atom) suggests that it is a stable material and it can be synthesized .…”

“…are used for gas sensing. To improve the sensing ability of these nanomaterials, functionalization with organic molecules, conducting polymers, nanoparticles, doping, and defect engineering are implemented. − …”

Self-assembly induced tunable multiple fluorescence output from a white light-emitting functionalized single π-conjugated molecule and implication in VOC sensing applications

“…This may be due to the greater number of C-C bonds of 1-hexanol, which can effectively interact through hydrogen bonding using the -OH group. 77,78 The better interaction with L2 is attributed to the lower HOMOÀLUMO energy gap (2.96 eV) with a more planar geometry/conformation. Fig.…”

Tuning the π-Conjugation of 2-Thiohydantoins toward a Rigorously Defined Detection of Volatile Organic Compounds by Surface Photovoltage

“…5 Marappan et al have demonstrated that the gas adsorption behavior of naphthalene appended DPP molecules functionalized with ZnO nanostructures prepared at different pHs (pH 9 and 11) showed a higher photoresponse toward 1-hexanol at pH 11. 6 Elakia and co-workers have investigated the gas sensing properties of pyrene containing −COOH functionality coated on multiwalled carbon nanotubes under visible light and observed that−COOH groups in pyrene show strong intermolecular hydrogen bonding through D−A interaction, thus furnishing a high selectivity for TEA with good response and recovery. 7 Recently, we have reported on the polymorphism-induced gas adsorption on the surface of the naphthalic dimide adorned phenothiazine unit, demonstrating that surface morphology and interaction sites induce selective photoresponse toward VOCs.…”

“…The aggregates formation further affects their p and n-type behavior upon exposure to different VOCs under visible light . Marappan et al have demonstrated that the gas adsorption behavior of naphthalene appended DPP molecules functionalized with ZnO nanostructures prepared at different pHs (pH 9 and 11) showed a higher photoresponse toward 1-hexanol at pH 11 . Elakia and co-workers have investigated the gas sensing properties of pyrene containing −COOH functionality coated on multiwalled carbon nanotubes under visible light and observed that–COOH groups in pyrene show strong intermolecular hydrogen bonding through D–A interaction, thus furnishing a high selectivity for TEA with good response and recovery .…”