Electronic structure of polymers for photovoltaic applications and strongly correlated electron systems

用于光伏应用和强相关电子系统的聚合物的电子结构

• 批准号: 239195-2010
• 负责人: Côté, Michel
• 金额: $ 2.99万
• 依托单位: Université de Montréal
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2010
• 资助国家: 加拿大
• 起止时间: 2010-01-01 至 2011-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=455204
• 关键词: Electronic; structure; polymers; photovoltaic; applications

This research program proposes the use of electronic structure methods to calculate the properties of novel materials. There are two main topics to this proposal: the first is polymers for photovoltaic applications and the other is strongly correlated electron materials such as the high-Tc and the newly discovered iron pnictides. Through method developments, we intend to better describe the properties of these materials such that calculations can be more useful in assisting experimental efforts.

该研究计划提出使用电子结构方法来计算新材料的性能。该提案有两个主要主题：第一个是用于光伏应用的聚合物，另一个是强相关电子材料，如高Tc和新发现的铁磷属元素化物。通过方法的发展，我们打算更好地描述这些材料的性质，使计算可以在辅助实验工作更有用。