Study on the electronic properties and molecule adsorption of W18O49 nanowires as a catalyst support in the cathodes of direct methanol fuel cells

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Abstract

Catalyst supports have been used to increase the catalytic activity of reactions in the cathode of Direct Methanol Fuel Cells (DMFCs). The properties of tungsten oxide (W18O49) nanowires were studied, and their adsorption capability was evaluated using density functional theory. The electronic properties of the bulk material and two different diameter nanowires were calculated. Moreover, the molecules involved in adsorption were carbon monoxide, methanol, oxygen and hydrogen peroxide. The results showed that the high adsorption energy produced is primarily the result of the adsorption of methanol, followed by that of hydrogen peroxide, carbon monoxide and oxygen. The negative adsorption energies obtained showed that the adsorption reactions were exothermic, and only oxygen was stable. Therefore, a new surface model was described where cobalt atoms were adsorbed on tungsten atoms on the surface of a 12 Å nanowire. In this new nanowire doped with cobalt atoms, the adsorption energy was reduced.

Original languageEnglish
Pages (from-to)461-472
Number of pages12
JournalJournal of Power Sources
Volume288
DOIs
Publication statusPublished - 15 Aug 2015

Fingerprint

Direct methanol fuel cells (DMFC)
Catalyst supports
Electronic properties
fuel cells
Nanowires
Cathodes
nanowires
methyl alcohol
cathodes
Adsorption
catalysts
Molecules
adsorption
electronics
peroxides
molecules
Carbon Monoxide
Oxygen
Cobalt
hydrogen peroxide

Keywords

  • Cathode catalyst
  • Direct Methanol fuel cell
  • Nanowire
  • Tungsten oxide

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Energy Engineering and Power Technology
  • Renewable Energy, Sustainability and the Environment
  • Physical and Theoretical Chemistry

Cite this

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title = "Study on the electronic properties and molecule adsorption of W18O49 nanowires as a catalyst support in the cathodes of direct methanol fuel cells",
abstract = "Catalyst supports have been used to increase the catalytic activity of reactions in the cathode of Direct Methanol Fuel Cells (DMFCs). The properties of tungsten oxide (W18O49) nanowires were studied, and their adsorption capability was evaluated using density functional theory. The electronic properties of the bulk material and two different diameter nanowires were calculated. Moreover, the molecules involved in adsorption were carbon monoxide, methanol, oxygen and hydrogen peroxide. The results showed that the high adsorption energy produced is primarily the result of the adsorption of methanol, followed by that of hydrogen peroxide, carbon monoxide and oxygen. The negative adsorption energies obtained showed that the adsorption reactions were exothermic, and only oxygen was stable. Therefore, a new surface model was described where cobalt atoms were adsorbed on tungsten atoms on the surface of a 12 {\AA} nanowire. In this new nanowire doped with cobalt atoms, the adsorption energy was reduced.",
keywords = "Cathode catalyst, Direct Methanol fuel cell, Nanowire, Tungsten oxide",
author = "Karim, {N. A.} and Kamarudin, {Siti Kartom} and Loh, {Kee Shyuan} and Zahira Yaakob and {Wan Daud}, {Wan Ramli} and Kadhum, {Abdul Amir H.}",
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journal = "Journal of Power Sources",
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T1 - Study on the electronic properties and molecule adsorption of W18O49 nanowires as a catalyst support in the cathodes of direct methanol fuel cells

AU - Karim, N. A.

AU - Kamarudin, Siti Kartom

AU - Loh, Kee Shyuan

AU - Yaakob, Zahira

AU - Wan Daud, Wan Ramli

AU - Kadhum, Abdul Amir H.

PY - 2015/8/15

Y1 - 2015/8/15

N2 - Catalyst supports have been used to increase the catalytic activity of reactions in the cathode of Direct Methanol Fuel Cells (DMFCs). The properties of tungsten oxide (W18O49) nanowires were studied, and their adsorption capability was evaluated using density functional theory. The electronic properties of the bulk material and two different diameter nanowires were calculated. Moreover, the molecules involved in adsorption were carbon monoxide, methanol, oxygen and hydrogen peroxide. The results showed that the high adsorption energy produced is primarily the result of the adsorption of methanol, followed by that of hydrogen peroxide, carbon monoxide and oxygen. The negative adsorption energies obtained showed that the adsorption reactions were exothermic, and only oxygen was stable. Therefore, a new surface model was described where cobalt atoms were adsorbed on tungsten atoms on the surface of a 12 Å nanowire. In this new nanowire doped with cobalt atoms, the adsorption energy was reduced.

AB - Catalyst supports have been used to increase the catalytic activity of reactions in the cathode of Direct Methanol Fuel Cells (DMFCs). The properties of tungsten oxide (W18O49) nanowires were studied, and their adsorption capability was evaluated using density functional theory. The electronic properties of the bulk material and two different diameter nanowires were calculated. Moreover, the molecules involved in adsorption were carbon monoxide, methanol, oxygen and hydrogen peroxide. The results showed that the high adsorption energy produced is primarily the result of the adsorption of methanol, followed by that of hydrogen peroxide, carbon monoxide and oxygen. The negative adsorption energies obtained showed that the adsorption reactions were exothermic, and only oxygen was stable. Therefore, a new surface model was described where cobalt atoms were adsorbed on tungsten atoms on the surface of a 12 Å nanowire. In this new nanowire doped with cobalt atoms, the adsorption energy was reduced.

KW - Cathode catalyst

KW - Direct Methanol fuel cell

KW - Nanowire

KW - Tungsten oxide

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