Logo: National Center for High-Performance Computing
Solid Oxide Fuel Cells (SOFC)
:::*Collaborative ResearchHome » Collaborative Research » Opto-electronics » Solid Oxide Fuel Cells (SOFC)

*  Solid Oxide Fuel Cells (SOFC)

SOFCs consist of three components: anodes, cathodes, and electrolytes. One of the most commonly used SOFC anode materials is nickel yttria-stabilized-zirconia (Ni-YSZ). The perovskite structures, LaMnO3, are typically used as cathode materials. Ni has a dual role as a catalyst for fuel oxidation as well as a conductor of electrical current. Because it is intolerant to sulfur and carbon poisoning, though, its performance is reduced. Cathodes and electrolytes dominate the mechanism of O2 reduction and diffusion. Reducing the operating temperature to around 500~700°C can lower the cost but also reduce the reaction rate. In order to solve these problems, it is crucial that new materials be developed. 

The goal of this study is to use quantum-chemical approaches and molecular dynamics to better understand the interfacial reaction mechanisms of SOFC systems at the molecular level. The mechanisms studied include the O2 reduction reaction on cathodes and electrolytes and H2, CH4, and CH3CH2OH (ethanol) oxidation reactions on anodes. We hope to be able to design improved SOFC applications through a better understanding of the mechanisms and processes involved. Initially we will examine the oxygen adsorption and dissociation kinetics on a cathode surface, La1-xSrxMnO3 (x = 0, 0.25, 0.5, 0.75, and 1). The results of this research will been published in the Journal of Physical Chemistry A (JPCA), Journal of Physical Chemistry C (JPCC), and Computer Physics Communications (CPC).


Latest Update: 2014/04/18
The guide map of HPC Business Unit
Hsinchu Headquarters (e-Map) No. 7, R&D 6th Rd., Hsinchu Science Park, Hsinchu City, Taiwan, R.O.C. 30076 TEL: 886-3-5776085ĦB0800-351-510  FAX: 886-3-5776082
The guide map of Taichung Branch
Taichung Branch (e-Map) No. 22, Keyuan Rd., Central Taiwan Science Park, Taichung City, Taiwan, R.O.C. 40763 TEL: 886-4-2462-0202ĦB886-4-2465-0818  FAX: 886-4-2462-7373
The guide map of Tainan Branch
Tainan Branch (e-Map) No. 28, Nan-Ke 3rd Rd., Hsin-Shi Dist., Tainan City, Taiwan, R.O.C. 74147 TEL: 886-6-5050940  FAX: 886-6-5050945
Web Priority A+ Accessibility Approval