Abstract
Density functional theory (DFT) computations were performed on the optimized geometric and electronic properties of reduced graphene oxide/polypyrrole (rGO/PPy) composite in comparison with pure graphene and graphene oxide structures. Incorporation of both reduced GO (rGO) and PPy will form a good composite which have advantages from both materials such as good mechanical strength and excellent electrical conductivity. These composite would be very suitable in fabrication of methanol sensor in direct methanol fuel cell (DMFC). The HOMO-LUMO energy (eV) was also calculated. These computational calculations provide a theoretical explanation for the good performance of rGO/PPy composite as electrode materials in methanol sensor.
| Original language | Malay |
|---|---|
| Pages (from-to) | 965-970 |
| Number of pages | 6 |
| Journal | Malaysian Journal of Analytical Sciences |
| Volume | 20 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2016 |
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ASJC Scopus subject areas
- Analytical Chemistry
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Kajian struktur komposit grafin oksida terturun/polipirol sebagai sensor metanol dalam sel bahan api metanol langsung. / Hassan, Mumtazah Atiqah; Kamarudin, Siti Kartom; Loh, Kee Shyuan.
In: Malaysian Journal of Analytical Sciences, Vol. 20, No. 4, 2016, p. 965-970.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Kajian struktur komposit grafin oksida terturun/polipirol sebagai sensor metanol dalam sel bahan api metanol langsung
AU - Hassan, Mumtazah Atiqah
AU - Kamarudin, Siti Kartom
AU - Loh, Kee Shyuan
PY - 2016
Y1 - 2016
N2 - Density functional theory (DFT) computations were performed on the optimized geometric and electronic properties of reduced graphene oxide/polypyrrole (rGO/PPy) composite in comparison with pure graphene and graphene oxide structures. Incorporation of both reduced GO (rGO) and PPy will form a good composite which have advantages from both materials such as good mechanical strength and excellent electrical conductivity. These composite would be very suitable in fabrication of methanol sensor in direct methanol fuel cell (DMFC). The HOMO-LUMO energy (eV) was also calculated. These computational calculations provide a theoretical explanation for the good performance of rGO/PPy composite as electrode materials in methanol sensor.
AB - Density functional theory (DFT) computations were performed on the optimized geometric and electronic properties of reduced graphene oxide/polypyrrole (rGO/PPy) composite in comparison with pure graphene and graphene oxide structures. Incorporation of both reduced GO (rGO) and PPy will form a good composite which have advantages from both materials such as good mechanical strength and excellent electrical conductivity. These composite would be very suitable in fabrication of methanol sensor in direct methanol fuel cell (DMFC). The HOMO-LUMO energy (eV) was also calculated. These computational calculations provide a theoretical explanation for the good performance of rGO/PPy composite as electrode materials in methanol sensor.
KW - Density functional theory
KW - Direct methanol fuel cell
KW - Graphene
KW - Polypyrrole
KW - Structure
UR - http://www.scopus.com/inward/record.url?scp=84982299837&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84982299837&partnerID=8YFLogxK
U2 - 10.17576/mjas-2016-2004-32
DO - 10.17576/mjas-2016-2004-32
M3 - Article
AN - SCOPUS:84982299837
VL - 20
SP - 965
EP - 970
JO - Malaysian Journal of Analytical Sciences
JF - Malaysian Journal of Analytical Sciences
SN - 1394-2506
IS - 4
ER -