Malaysian
Journal of Analytical Sciences Vol 20 No 4 (2016): 965 - 970
DOI:
http://dx.doi.org/10.17576/mjas-2016-2004-32
STRUCTURAL STUDY OF REDUCED GRAPHENE
OXIDE/POLYPYRROLE COMPOSITE AS METHANOL SENSOR IN DIRECT METHANOL
FUEL CELL
(Kajian Struktur
Komposit Grafin Oksida Terturun/Polipirol Sebagai Sensor Metanol Dalam Sel
Bahan Api Metanol Langsung)
Mumtazah Atiqah Hassan1, Siti Kartom Kamarudin1, 2*,
Kee Shyuan Loh1
1Fuel
Cell Institute
2Department of Chemical and Process Engineering,
Faculty of Engineering and Built Environment
Universiti
Kebangsaan Malaysia, 43600 UKM Bangi, Selangor, Malaysia
*Corresponding author: ctie@ukm.edu.my
Received: 5
February 2016; Accepted: 22 April 2016
Abstract
Density functional theory (DFT)
computations were performed on the optimized geometric and electronic
properties of reduced graphene oxide/polypyrole (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 computations
provide a theoretical explanation for the good performance of rGO/PPy composite
as electrode materials in methanol sensor.
Keywords: graphene, structure, polypyrrole, direct
methanol fuel cell, density functional theory
Abstrak
Pengiraan teori fungsi ketumpatan (DFT)
telah dilakukan ke atas ciri optimum geometri dan elektronik oksida komposit
grafin terturun/polipirol (rGO/PPy) berbanding dengan grafin dan grafin oksida
berstruktur tulen. Gabungan kedua-dua GO terturun (rGO) dan PPy akan membentuk
komposit yang baik yang mempunyai kelebihan dari kedua-dua bahan seperti
kekuatan mekanikal dan kekonduksian elektrik yang sangat baik.
Komposit ini menjadi sangat sesuai dalam pembuatan sensor metanol dalam sel
bahan api metanol langsung (DMFC). Tenaga HOMO-LUMO (eV) juga telah dikira.
Pengiraan ini memberikan penjelasan teori untuk prestasi baik rGO/PPy komposit
sebagai bahan elektrod dalam sensor metanol.
Kata
kunci: grafin,
struktur, polipirol, sel bahan api metanol langsung, teori fungsi ketumpatan
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