Molecular modeling of interfacial structure and dynamics in proton conductors for fuel cells

燃料电池质子导体界面结构和动力学的分子建模

• 批准号: 283193-2007
• 负责人: Eikerling, Michael
• 金额: $ 3.78万
• 依托单位: Simon Fraser University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2008
• 资助国家: 加拿大
• 起止时间: 2008-01-01 至 2009-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=395592
• 关键词: Molecular; modeling; interfacial; structure; dynamics

This program in theory and molecular modeling explores proton transport along hydrated interfaces with dense packing of proton binding surface groups. These phenomenona are vital for a wide range of areas, including proton motion along cellular membranes in bioenergetics as well as energy conversion in hydrogen fuel cells. Our main interest lies in the latter realm.

这个程序在理论和分子模拟探讨质子运输沿着水合界面与密集包装的质子结合表面基团。这些现象对许多领域都至关重要，包括生物能量学中质子沿着细胞膜的运动以及氢燃料电池中的能量转换。我们的主要兴趣在于后一个领域。