Polyaniline emeraldine salt as an ammonia gas sensor - Comparison of quantum-based simulation with experiment

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F19%3A00332667" target="_blank" >RIV/68407700:21230/19:00332667 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.physe.2019.113621" target="_blank" >https://doi.org/10.1016/j.physe.2019.113621</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physe.2019.113621" target="_blank" >10.1016/j.physe.2019.113621</a>

Result language
angličtina
Original language name
Polyaniline emeraldine salt as an ammonia gas sensor - Comparison of quantum-based simulation with experiment
Original language description
Polyaniline as a conducting polymer is proposed to react with gas molecules and thus change its electrical conductivity. In this paper, a polyaniline molecule, in the form of emeraldine salt, and its electrical conductivity in or without the presence of NH3 were studied using numerical modelling. From the I-V characteristic of emeraldine salt molecule in the presence and without the presence of ammonia molecule, the effective resistance (R-R0)/R0 was computed and compared with experimental data. Because of only one molecule computation, I-V characteristics come to saturation (limited amount of charge carriers). The resistance is computed for pure polyaniline (PANI) and PANI with adsorbed ammonia molecule corresponding to approximative ammonia gas concentration of 3 ppm. The relative resistance increase was compared with experimental data and it was shown to be consistent with the measured values. From the results, PANI in the form of emeraldine salt is suitable as a sensing element in NH3 gas sensors.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/EF16_019%2F0000778" target="_blank" >EF16_019/0000778: Center for advanced applied science</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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