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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

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

2019

Kód důvěrnosti údajů

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

Název periodika

Physica E

ISSN

1386-9477

e-ISSN

1873-1759

Svazek periodika

114

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

—

Kód UT WoS článku

000482637000061

EID výsledku v databázi Scopus

2-s2.0-85068507453