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Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory
[Image: see text] A key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy leve...
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| 出版年: | Nano Lett |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Chemical Society
2015
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4392703/ https://ncbi.nlm.nih.gov/pubmed/25741626 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/nl504863r |
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