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Multi-orbital charge transfer at highly oriented organic/metal interfaces
The molecule–substrate interaction plays a key role in charge injection organic-based devices. Charge transfer at molecule–metal interfaces strongly affects the overall physical and magnetic properties of the system, and ultimately the device performance. Here, we report theoretical and experimental...
Autores principales: | , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5570996/ https://www.ncbi.nlm.nih.gov/pubmed/28839127 http://dx.doi.org/10.1038/s41467-017-00402-0 |
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author | Zamborlini, Giovanni Lüftner, Daniel Feng, Zhijing Kollmann, Bernd Puschnig, Peter Dri, Carlo Panighel, Mirko Di Santo, Giovanni Goldoni, Andrea Comelli, Giovanni Jugovac, Matteo Feyer, Vitaliy Schneider, Claus Michael |
author_facet | Zamborlini, Giovanni Lüftner, Daniel Feng, Zhijing Kollmann, Bernd Puschnig, Peter Dri, Carlo Panighel, Mirko Di Santo, Giovanni Goldoni, Andrea Comelli, Giovanni Jugovac, Matteo Feyer, Vitaliy Schneider, Claus Michael |
author_sort | Zamborlini, Giovanni |
collection | PubMed |
description | The molecule–substrate interaction plays a key role in charge injection organic-based devices. Charge transfer at molecule–metal interfaces strongly affects the overall physical and magnetic properties of the system, and ultimately the device performance. Here, we report theoretical and experimental evidence of a pronounced charge transfer involving nickel tetraphenyl porphyrin molecules adsorbed on Cu(100). The exceptional charge transfer leads to filling of the higher unoccupied orbitals up to LUMO+3. As a consequence of this strong interaction with the substrate, the porphyrin’s macrocycle sits very close to the surface, forcing the phenyl ligands to bend upwards. Due to this adsorption configuration, scanning tunneling microscopy cannot reliably probe the states related to the macrocycle. We demonstrate that photoemission tomography can instead access the Ni-TPP macrocycle electronic states and determine the reordering and filling of the LUMOs upon adsorption, thereby confirming the remarkable charge transfer predicted by density functional theory calculations. |
format | Online Article Text |
id | pubmed-5570996 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-55709962017-08-30 Multi-orbital charge transfer at highly oriented organic/metal interfaces Zamborlini, Giovanni Lüftner, Daniel Feng, Zhijing Kollmann, Bernd Puschnig, Peter Dri, Carlo Panighel, Mirko Di Santo, Giovanni Goldoni, Andrea Comelli, Giovanni Jugovac, Matteo Feyer, Vitaliy Schneider, Claus Michael Nat Commun Article The molecule–substrate interaction plays a key role in charge injection organic-based devices. Charge transfer at molecule–metal interfaces strongly affects the overall physical and magnetic properties of the system, and ultimately the device performance. Here, we report theoretical and experimental evidence of a pronounced charge transfer involving nickel tetraphenyl porphyrin molecules adsorbed on Cu(100). The exceptional charge transfer leads to filling of the higher unoccupied orbitals up to LUMO+3. As a consequence of this strong interaction with the substrate, the porphyrin’s macrocycle sits very close to the surface, forcing the phenyl ligands to bend upwards. Due to this adsorption configuration, scanning tunneling microscopy cannot reliably probe the states related to the macrocycle. We demonstrate that photoemission tomography can instead access the Ni-TPP macrocycle electronic states and determine the reordering and filling of the LUMOs upon adsorption, thereby confirming the remarkable charge transfer predicted by density functional theory calculations. Nature Publishing Group UK 2017-08-25 /pmc/articles/PMC5570996/ /pubmed/28839127 http://dx.doi.org/10.1038/s41467-017-00402-0 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Zamborlini, Giovanni Lüftner, Daniel Feng, Zhijing Kollmann, Bernd Puschnig, Peter Dri, Carlo Panighel, Mirko Di Santo, Giovanni Goldoni, Andrea Comelli, Giovanni Jugovac, Matteo Feyer, Vitaliy Schneider, Claus Michael Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title | Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title_full | Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title_fullStr | Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title_full_unstemmed | Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title_short | Multi-orbital charge transfer at highly oriented organic/metal interfaces |
title_sort | multi-orbital charge transfer at highly oriented organic/metal interfaces |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5570996/ https://www.ncbi.nlm.nih.gov/pubmed/28839127 http://dx.doi.org/10.1038/s41467-017-00402-0 |
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