Orbital gap predictions for rational design of organic photovoltaic materials

著录项

• 来源
  《Organic Electronics》 |2014年第7期|1509-1520|共12页
• 作者

  Heidi Phillips; Zilong Zheng; Eitan Geva; Barry D. Dunietz;

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• 作者单位

  Department of Chemistry, University of Michigan, 930 N. University Ave., Ann Arbor, MI 48109, USA;

  Department of Chemistry, Kent State University, 1175 Risman Drive, Kent, OH 44242, USA;

  Department of Chemistry, University of Michigan, 930 N. University Ave., Ann Arbor, MI 48109, USA;

  Department of Chemistry, Kent State University, 1175 Risman Drive, Kent, OH 44242, USA;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  Optimally-tuned range separated hybrid; functional; Density functional theory; Organic photovoltaic; Ionization potential; Electron affinity; Fundamental gap;

  机译：最佳调整范围的混合动力车;功能密度泛函理论;有机光伏;电离势;电子亲和力基本差距;