Molecular dynamics simulation of the effect of electric field on the structure of hydronium in one-d

来源 :第四届国际分子模拟大会(The International Conference on Molecular Simula | 被引量 : 0次 | 上传用户:cnyy20
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  The imperfect performance of proton exchange membrane(PEM)is one of the most significant barrier that proton exchange membrane fuel cell have met on the way to widely commercialization.Because the mechanism of proton transport in PEMare not clear.And there are many inseparable factors,which can influence proton transfer and the working ways are unknown.Functionalized carbon nanotube(CNT),providing one dimensional hydrophobic confinement environments,can be used as the brief model of proton exchange channel.Hence,the factors can be analyzed separately.
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