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- Tonatiuh Rangel
- Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720;
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- Andre Rinn
- Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, D-35032 Marburg, Germany;
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- Sahar Sharifzadeh
- Department of Electrical and Computer Engineering, Boston University, Boston, MA 02215;
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- Felipe H. da Jornada
- Department of Physics, University of California, Berkeley, CA 94720;
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- André Pick
- Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, D-35032 Marburg, Germany;
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- Steven G. Louie
- Department of Physics, University of California, Berkeley, CA 94720;
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- Gregor Witte
- Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, D-35032 Marburg, Germany;
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- Leeor Kronik
- Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth, 76100, Israel;
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- Jeffrey B. Neaton
- Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720;
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- Sangam Chatterjee
- Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, D-35032 Marburg, Germany;
説明
<jats:title>Significance</jats:title> <jats:p>Molecular solids are an important class of highly tunable, chemically diverse, cheap-to-process materials with promise for next-generation organic optoelectronics. Bound largely by noncovalent interactions, these materials harbor unique charge carrier generation and transport phenomena distinct from conventional semiconductors, an understanding of which requires a detailed description of the excited-state properties of molecular solids. Recent advances in synthetic techniques, ab initio theory, and spectroscopic measurements have enabled such a description, and here we perform quantitative theoretical calculations and high-resolution measurements on a high-quality single-crystal thin film of perylene, an exemplar molecular solid. We obtain excellent agreement between theory and experiment, and a clear picture of the low-lying excitations in perylene responsible for its distinctive optical properties.</jats:p>
収録刊行物
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- Proceedings of the National Academy of Sciences
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Proceedings of the National Academy of Sciences 115 (2), 284-289, 2017-12-26
Proceedings of the National Academy of Sciences
