Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations
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- 作者：Yang Hea ; b ; Changfeng Chena ; b ; chen_c_f@163.com" class="auth_mail" title="E-mail the corresponding author ; Haobo Yua ; b ; Guiwu Lua
- 关键词：Water/platinum interface ; Compact layer ; Temperature effect ; First-principles molecular dynamics simulations
- 刊名：Applied Surface Science
- 出版年：2017
- 出版时间：15 January 2017
- 年：2017
- 卷：392
- 期：Complete
- 页码：109-116
- 全文大小：2769 K
文摘
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The structures of water compact layer on Pt(111) at different temperature were calculated.
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The feature of chemical bond between water molecules and Pt (111) surface was discussed with temperature increased.
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Temperature dependence of electrical strengths and capacitances of compact layer on Pt (111) surface was calculated.
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