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

作者: NA Karim , SK Kamarudin , LK Shyuan , Z Yaakob , WRW Daud

DOI: 10.1016/J.JPOWSOUR.2015.04.111

关键词:

摘要: Abstract Catalyst supports have been used to increase the catalytic activity of reactions in cathode Direct Methanol Fuel Cells (DMFCs). The properties tungsten oxide (W 18 O 49 ) nanowires were studied, and their adsorption capability was evaluated using density functional theory. electronic bulk material two different diameter calculated. Moreover, molecules involved carbon monoxide, methanol, oxygen hydrogen peroxide. results showed that high energy produced is primarily result followed by peroxide, monoxide oxygen. negative energies obtained exothermic, only stable. Therefore, a new surface model described where cobalt atoms adsorbed on 12 A nanowire. In this nanowire doped with atoms, reduced.

参考文章(55)
Xueliang (Andy) Sun, Madhu Sudan Saha, Nanotubes, Nanofibers and Nanowires as Supports for Catalysts Springer, London. pp. 655- 714 ,(2008) , 10.1007/978-1-84800-936-3_14
H. J. Xiang, Jinlong Yang, J. G. Hou, Qingshi Zhu, Piezoelectricity in ZnO nanowires: A first-principles study Applied Physics Letters. ,vol. 89, pp. 223111- ,(2006) , 10.1063/1.2397013
Wei Fan, A.L. Rosa, Th. Frauenheim, R.Q. Zhang, Energetic and electronic properties of hydrogen passivated ZnO nanowires Solid State Communications. ,vol. 148, pp. 101- 104 ,(2008) , 10.1016/J.SSC.2008.08.003
NA Karim, SK Kamarudin, LK Shyuan, Z Yaakob, WRW Daud, AAH Khadum, None, Novel cathode catalyst for DMFC: Study of the density of states of oxygen adsorption using density functional theory International Journal of Hydrogen Energy. ,vol. 39, pp. 17295- 17305 ,(2014) , 10.1016/J.IJHYDENE.2014.06.110
C.K. Acharya, C.H. Turner, CO oxidation with Pt(1 1 1) supported on pure and boron-doped carbon: A DFT investigation Surface Science. ,vol. 602, pp. 3595- 3602 ,(2008) , 10.1016/J.SUSC.2008.09.037
D. B. Migas, V. L. Shaposhnikov, V. E. Borisenko, Tungsten oxides. II. The metallic nature of Magnéli phases Journal of Applied Physics. ,vol. 108, pp. 093714- ,(2010) , 10.1063/1.3505689
Guofeng Wang, Nitia Ramesh, Andrew Hsu, Deryn Chu, Rongrong Chen, Density functional theory study of the adsorption of oxygen molecule on iron phthalocyanine and cobalt phthalocyanine Molecular Simulation. ,vol. 34, pp. 1051- 1056 ,(2008) , 10.1080/08927020802258690
Jing Zhang, Zhijian Wang, Zhenping Zhu, The inherent kinetic electrochemical reduction of oxygen into H2O on FeN4-carbon: A density functional theory study Journal of Power Sources. ,vol. 255, pp. 65- 69 ,(2014) , 10.1016/J.JPOWSOUR.2014.01.008
Olivier Antoine, Yann Bultel, Robert Durand, Oxygen reduction reaction kinetics and mechanism on platinum nanoparticles inside Nafion Journal of Electroanalytical Chemistry. ,vol. 499, pp. 85- 94 ,(2001) , 10.1016/S0022-0728(00)00492-7
Xueting Chang, Shibin Sun, Xiao Xu, Zhenjiang Li, Synthesis of transition metal-doped tungsten oxide nanostructures and their optical properties Materials Letters. ,vol. 65, pp. 1710- 1712 ,(2011) , 10.1016/J.MATLET.2011.02.060