Modeling a multiple-chain emeraldine gas sensor for NH3 and NO2 detection

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F22%3A00359362" target="_blank" >RIV/68407700:21230/22:00359362 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.3762/bjnano.13.64" target="_blank" >https://doi.org/10.3762/bjnano.13.64</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3762/bjnano.13.64" target="_blank" >10.3762/bjnano.13.64</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Modeling a multiple-chain emeraldine gas sensor for NH3 and NO2 detection

Popis výsledku v původním jazyce

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 I–V characteristics of the system with and without adsorbed gas molecules for gas concentrations of 3, 6, 9, and 12 ppm, the effective resistance changes, (R - R0)/R0, 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 NH3 detection and rather good properties for NO2 detection.

Název v anglickém jazyce

Modeling a multiple-chain emeraldine gas sensor for NH3 and NO2 detection

Popis výsledku anglicky

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 I–V characteristics of the system with and without adsorbed gas molecules for gas concentrations of 3, 6, 9, and 12 ppm, the effective resistance changes, (R - R0)/R0, 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 NH3 detection and rather good properties for NO2 detection.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EF16_019%2F0000778" target="_blank" >EF16_019/0000778: Centrum pokročilých aplikovaných přírodních věd</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Beilstein Journal of Nanotechnology

ISSN

2190-4286

e-ISSN

2190-4286

Svazek periodika

13

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

9

Strana od-do

721-729

Kód UT WoS článku

000830902500001

EID výsledku v databázi Scopus

2-s2.0-85135513750