This paper describes atomistic device models of a multiple-chain polyaniline (PANI) gas sensing component, utilizing the non-equilibrium Green's functions formalism. The numerical results are compared with experimental data of ammonia and nitrogen dioxide detection. Multiple molecules of PANI in the form of emeraldine salt were studied with more than one absorbed molecule of ammonia or nitrogen dioxide. From the - characteristics of the system with and without adsorbed gas molecules for gas concentrations of 3, 6, 9, and 12 ppm, the effective resistance changes, ( - )/ , were obtained and compared with experimental results. A good agreement with the measured values was obtained. In summary, PANI as emeraldine salt was numerically modeled for several adsorbed gas concentrations, several gas configurations, and different PANI molecule positions, including carrier hopping between them. The results are comparable to the experiment and show good properties for the application as gas sensor device for NH detection and rather good properties for NO detection.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9344558 | PMC |
| http://dx.doi.org/10.3762/bjnano.13.64 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Multiple optical path length reflections enhancement based on balloon-type photoacoustic cell for trace gas sensing.
Photoacoustics
February 2025
College of Engineering, Department of Electrical and Electronic Engineering, Southern University of Science and Technology, Shenzhen 518055, China.
A novel balloon-type photoacoustic cell (BTPAC) is proposed to facilitate the detection limitations of acetylene (CH) gas achieving ppb level. Here, an ellipsoidal photoacoustic cavity is employed as the platform for gas-light interaction. By strategically directing the excitation source towards the focal point of the ellipsoidal cavity, ensuring its trajectory traverses the focal point upon each reflection from the interior walls.
View Article and Find Full Text PDFMethane, Ethane, and Propane Detection Using a Quartz-Enhanced Photoacoustic Sensor for Natural Gas Composition Analysis.
Energy Fuels
January 2025
PolySense Lab, Dipartimento Interateneo di Fisica, University and Polytechnic of Bari, Via Amendola 173, Bari 70126, Italy.
A compact and portable gas sensor based on quartz-enhanced photoacoustic spectroscopy (QEPAS) for the detection of methane (C1), ethane (C2), and propane (C3) in natural gas (NG)-like mixtures is reported. An interband cascade laser (ICL) emitting at 3367 nm is employed to target absorption features of the three alkanes, and partial least-squares regression analysis is employed to filter out spectral interferences and matrix effects characterizing the examined gas mixtures. Spectra of methane, ethane, and propane mixtures diluted in nitrogen are employed to train and test the regression algorithm, achieving a prediction accuracy of ∼98%, ∼96%, and ∼93% on C1, C2, and C3, respectively.
View Article and Find Full Text PDFA promising high-sensitive 1D photonic crystal magnetic field sensor based on the coupling of Fano\Tamm resonance in far IR region.
Sci Rep
January 2025
Physics Department, Faculty of Science, Beni-Suef University, Beni-Suef, 62512, Egypt.
This paper presents a novel investigation of a magnetic sensor that employs Fano/Tamm resonance within the photonic band gap of a one-dimensional crystal structure. The design incorporates a thin layer of gold (Au) alongside a periodic arrangement of Tantalum pentoxide ([Formula: see text]) and Cesium iodide ([Formula: see text]) in the configuration [Formula: see text]. We utilized the transfer matrix method in conjunction with the Drude model to analyze the formation of Fano/Tamm states and the permittivity of the metallic layer, respectively.
View Article and Find Full Text PDFHydrogen-Bonded Organic Framework Nanosheets with Rich Free Oxygen Atoms for NO Sensing.
Inorg Chem
January 2025
School of Materials Science and Engineering, Hainan University, Haikou 570228, China.
Hydrogen-bonded organic frameworks (HOFs) are under fast development in broad applications but have not been well explored for chemiresistive gas sensing yet primarily due to insufficient active sites. Herein, a new porphyrin-based HOF-199 is constructed by OH···O hydrogen bonds featuring layered networks and rich free oxygen (O) atoms, which is further exfoliated into few-layer nonosheets with more dangling O sites through an ultrasound-assisted liquid exfoliation method (namely L-HOF-199). Benefiting from rich electron-donor sites, L-HOF-199 demonstrates exceptional NO sensing properties under ambient conditions, achieving a remarkable 3.
View Article and Find Full Text PDFBorophene based quasi planar nanocluster for ethanol, isobutanol, and acetone sensing: A first principle study.
J Mol Graph Model
January 2025
Department of Chemistry Education, Farhangian University, P.O. Box 14665-889, Tehran, Iran. Electronic address:
In this study, the need for efficient detection of volatile organic compounds (VOCs) in environmental monitoring, industrial safety, is addressed by investigating borophene-based B36 nanoclusters as gas sensors. Density functional theory (DFT) calculations were employed to examine the adsorption behavior of ethanol, isobutanol, and acetone on B surfaces, with a focus on vibrational modes, reactivity, and adsorption energies. It was found that acetone exhibits the strongest interaction with pristine B, indicating its potential for robust sensing applications.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!