Application of Computational Chemistry to Functional Materials for Energy Devices

来源 :IUPAC 9th International Conference on Novel Materials and th | 被引量 : 0次 | 上传用户:liuyan881119
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To realize the large-scale penetration of solid oxide fuel cell (SOFC) into the market, it is important to suppress the processes causing the losses such as the irreversible electrode overpotential, short-term poisoning, and long-term degradation.Because such processes involve the phenomena in different scale, e.g.the electrochemical reaction at the triple phase boundary as well as mass transport in the electrode pore, it is necessary to apply analytical methods appropriate for dealing with atomistic and micro-meter scale phenomena.
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