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Type: Artigo
Title: "Inverted'' porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111)
Author: Lepper, M.
Köbl, J.
Schmitt, T.
Gurrath, M.
Siervo, A. de
Schneider, M. A.
Steinrück, H.-P.
Meyer, B.
Marbach, H.
Hieringer, W.
Abstract: Based on density functional theory calculations combined with experimental results, we report and discuss an extremely distorted, "inverted" adsorption geometry of free-base tetraphenylporphyrin on Cu(111). The current findings yield new insights into a well-studied system, shedding light on the peculiar molecule-substrate interaction and the resulting intramolecular conformation.
Subject: Teoria do funcional de densidade
Microscopia de força atômica
Density functional theory
Atomic force microscopy
Country: Reino Unido
Editor: Royal Society of Chemistry
Rights: fechado
Identifier DOI: 10.1039/c7cc04182a
Date Issue: 2017
Appears in Collections:IFGW - Artigos e Outros Documentos

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