Tunable visible light enhanced triethylamine adsorption on pH dependent ZnO nanostructures: An investigation by scanning Kelvin probe

“…The band gap value corresponds to the visible light region. Therefore, visible light illumination can enhance Sc 2 CO 2 MXene’s VOC sensing efficiency similar to organic molecules as well as organic molecules functionalized ZnO gas sensors. , The Fermi energy level is closer to the valence band (VB). Hence, Sc 2 CO 2 MXene is a p-type semiconductor.…”

Section: Resultsmentioning

confidence: 99%

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

Reji

Balaji

Sivalingam

et al. 2023

ACS Appl. Nano Mater.

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Volatile organic compounds (VOCs), namely, acetone, ethanol, acetonitrile, 2-propanol, isoprene, and toluene exhaled in human breath act as potential biomarkers for the identification of certain physiological disorders. This work investigates the sensing capability of two-dimensional Sc2CO2 MXene nanosheets toward these VOCs using first-principles density functional theory calculations. Since carbon dioxide and water vapor persist in the exhaled breath, their interaction with Sc2CO2 as interferent species is examined too. It is found that 2-propanol (−0.63 eV), ethanol (−0.59 eV), and acetonitrile (−0.51 eV) show higher interaction with the Sc2CO2. Meanwhile, the chemiresistive sensorial behavior has been examined, and it is revealed that Sc2CO2 is highly sensitive to acetonitrile (50.20%). Both ethanol (1.03 × 10–3 s) and 2-propanol (5.24 × 10–3 s) have a fast recovery at room temperature. Alternatively, the change in work function of Sc2CO2 nanosheets on adsorption of VOC biomarkers has been examined. The corresponding results have proved that the work function-based Sc2CO2 sensor is sensitive to physisorbed species like toluene (47.62%) and isoprene (37.83%) that are not quantifiable using the chemiresistive sensing mechanism. Overall, our research predicts that the Sc2CO2 MXene nanosheet can be utilized as a dual-mode sensor to detect potential VOC biomarkers in the exhaled breath. Also, our results will assist the experimentalists in designing MXene nanosheet-based room-temperature sensors as point-of-care breathalyzers for disease diagnosis.

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“…Detailed operation and the working principle were discussed in our previous work. 58–60 Using the obtained V CPD value, the work function was calculated using the formula:where φ tip is the work function of the tip, V CPD is the measured contact potential difference between the tip and the sample, and e is the fundamental electronic charge.…”

Section: Resultsmentioning

confidence: 99%

“…Detailed operation and the working principle were discussed in our previous work. [58][59][60] Using the obtained V CPD value, the work function was calculated using the formula:…”

Section: Resultsmentioning

confidence: 99%

Piezoelectric nanogenerator induced work function on a metal phenolic coordination framework from copper oxide nanospheres for efficient biomechanical energy harvesting and physiological monitoring

et al. 2022

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Tunable visible light enhanced triethylamine adsorption on pH dependent ZnO nanostructures: An investigation by scanning Kelvin probe

Cited by 16 publications

References 56 publications

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

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

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

Piezoelectric nanogenerator induced work function on a metal phenolic coordination framework from copper oxide nanospheres for efficient biomechanical energy harvesting and physiological monitoring

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Tunable visible light enhanced triethylamine adsorption on pH dependent ZnO nanostructures: An investigation by scanning Kelvin probe

Cited by 16 publications

References 56 publications

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

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

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

Piezoelectric nanogenerator induced work function on a metal phenolic coordination framework from copper oxide nanospheres for efficient biomechanical energy harvesting and physiological monitoring

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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