Benzene and Pyridine on Silicon (001): A Trial Ground for Long-Range Corrections in Density Functional Theory

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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...

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Bibliographic Details
Main Authors:	Warschkow, O., Bennett, J., Miwa, J., Lopinski, G., Rosei, F., McKenzie, D., Marks, Nigel
Format:	Journal Article
Published:	American Chemical Society 2017
Online Access:	http://hdl.handle.net/20.500.11937/54932

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