Benzene and Pyridine on Silicon (001): A Trial Ground for Long-Range Corrections in Density Functional Theory
The adsorption chemistry of benzene and pyridine on the silicon (001) surface is characterized by two prominent adsorbate configurations: a precursor structure bonded to a single Si–Si dimer and a “tight-bridge” configuration that connects two adjacent dimers. We examine here the performance of 20 d...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2017
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| Online Access: | http://hdl.handle.net/20.500.11937/54932 |